 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_wB97XD-augccpVDZr.in
 Output=35_ZrEnThind2Cl2_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/35_ZrEnThind2Cl2_STD/Gau-2485.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2487.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=35_ZrEnThind2Cl2_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:21:31 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:21:31 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Fri Jul  9 00:21:32 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.4115300000D-04
     Exponent=  1.9170000000D+04 Coefficients=  1.8709500000D-03
     Exponent=  4.3630000000D+03 Coefficients=  9.7082700000D-03
     Exponent=  1.2360000000D+03 Coefficients=  3.9315300000D-02
     Exponent=  4.0360000000D+02 Coefficients=  1.2593200000D-01
     Exponent=  1.4570000000D+02 Coefficients=  2.9934100000D-01
     Exponent=  5.6810000000D+01 Coefficients=  4.2188600000D-01
     Exponent=  2.3230000000D+01 Coefficients=  2.3720100000D-01
     Exponent=  6.6440000000D+00 Coefficients=  1.9153100000D-02
     Exponent=  2.5750000000D+00 Coefficients= -3.3479200000D-03
     Exponent=  5.3710000000D-01 Coefficients=  9.2988300000D-04
     Exponent=  1.9380000000D-01 Coefficients= -3.9637900000D-04
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients= -6.7892200000D-05
     Exponent=  1.9170000000D+04 Coefficients= -5.2183600000D-04
     Exponent=  4.3630000000D+03 Coefficients= -2.7651300000D-03
     Exponent=  1.2360000000D+03 Coefficients= -1.1153700000D-02
     Exponent=  4.0360000000D+02 Coefficients= -3.8591900000D-02
     Exponent=  1.4570000000D+02 Coefficients= -9.9484800000D-02
     Exponent=  5.6810000000D+01 Coefficients= -2.0139200000D-01
     Exponent=  2.3230000000D+01 Coefficients= -1.3031300000D-01
     Exponent=  6.6440000000D+00 Coefficients=  5.0944300000D-01
     Exponent=  2.5750000000D+00 Coefficients=  6.1072500000D-01
     Exponent=  5.3710000000D-01 Coefficients=  4.2154900000D-02
     Exponent=  1.9380000000D-01 Coefficients= -9.2342700000D-03
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.0498600000D-05
     Exponent=  1.9170000000D+04 Coefficients=  1.5829800000D-04
     Exponent=  4.3630000000D+03 Coefficients=  8.3363900000D-04
     Exponent=  1.2360000000D+03 Coefficients=  3.3988000000D-03
     Exponent=  4.0360000000D+02 Coefficients=  1.1673800000D-02
     Exponent=  1.4570000000D+02 Coefficients=  3.0962200000D-02
     Exponent=  5.6810000000D+01 Coefficients=  6.2953300000D-02
     Exponent=  2.3230000000D+01 Coefficients=  4.6025700000D-02
     Exponent=  6.6440000000D+00 Coefficients= -2.1931200000D-01
     Exponent=  2.5750000000D+00 Coefficients= -4.0877300000D-01
     Exponent=  5.3710000000D-01 Coefficients=  6.3846500000D-01
     Exponent=  1.9380000000D-01 Coefficients=  5.6236200000D-01
 S 1 1.00
     Exponent=  1.9380000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.0800000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients=  5.2598200000D-03
     Exponent=  9.8330000000D+01 Coefficients=  3.9833200000D-02
     Exponent=  3.1040000000D+01 Coefficients=  1.6465500000D-01
     Exponent=  1.1190000000D+01 Coefficients=  3.8732200000D-01
     Exponent=  4.2490000000D+00 Coefficients=  4.5707200000D-01
     Exponent=  1.6240000000D+00 Coefficients=  1.5163600000D-01
     Exponent=  5.3220000000D-01 Coefficients=  1.8161500000D-03
     Exponent=  1.6200000000D-01 Coefficients=  1.8829600000D-03
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients= -1.4357000000D-03
     Exponent=  9.8330000000D+01 Coefficients= -1.0779600000D-02
     Exponent=  3.1040000000D+01 Coefficients= -4.7007500000D-02
     Exponent=  1.1190000000D+01 Coefficients= -1.1103000000D-01
     Exponent=  4.2490000000D+00 Coefficients= -1.5327500000D-01
     Exponent=  1.6240000000D+00 Coefficients=  8.9460900000D-02
     Exponent=  5.3220000000D-01 Coefficients=  5.7944400000D-01
     Exponent=  1.6200000000D-01 Coefficients=  4.8327200000D-01
 P 1 1.00
     Exponent=  1.6200000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.6600000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.9600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  1.4860000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -3.6592000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.3215500000D-01
     Exponent=  3.3913400000D+00 Coefficients= -5.4645400000D-01
     Exponent=  7.8847500000D-01 Coefficients=  8.0229100000D-01
     Exponent=  3.5998200000D-01 Coefficients=  4.5830400000D-01
     Exponent=  7.7792000000D-02 Coefficients=  2.0388000000D-02
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients= -3.0800000000D-04
     Exponent=  1.7098100000D+01 Coefficients=  9.6310000000D-03
     Exponent=  1.0687500000D+01 Coefficients= -3.9043000000D-02
     Exponent=  3.3913400000D+00 Coefficients=  1.8471700000D-01
     Exponent=  7.8847500000D-01 Coefficients= -3.5846900000D-01
     Exponent=  3.5998200000D-01 Coefficients= -3.2082800000D-01
     Exponent=  7.7792000000D-02 Coefficients=  6.5604800000D-01
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  2.8110000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -4.1292000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.1489100000D-01
     Exponent=  3.3913400000D+00 Coefficients= -4.3480900000D-01
     Exponent=  7.8847500000D-01 Coefficients=  1.4174320000D+00
     Exponent=  3.5998200000D-01 Coefficients= -7.2861900000D-01
     Exponent=  7.7792000000D-02 Coefficients= -1.6769590000D+00
 S 1 1.00
     Exponent=  3.0234000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.1800000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients=  2.1436000000D-02
     Exponent=  4.4181900000D+00 Coefficients= -1.6041300000D-01
     Exponent=  1.0931000000D+00 Coefficients=  4.5432600000D-01
     Exponent=  5.1878600000D-01 Coefficients=  4.9911900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7778300000D-01
     Exponent=  8.4707000000D-02 Coefficients=  1.0404000000D-02
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -5.8310000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  4.8152000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -1.6008000000D-01
     Exponent=  5.1878600000D-01 Coefficients= -2.2013500000D-01
     Exponent=  2.3636300000D-01 Coefficients=  3.5515000000D-02
     Exponent=  8.4707000000D-02 Coefficients=  6.1817800000D-01
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -7.8290000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  6.6008000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -2.1137400000D-01
     Exponent=  5.1878600000D-01 Coefficients= -3.5754900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7038700000D-01
     Exponent=  8.4707000000D-02 Coefficients=  8.5184000000D-01
 P 1 1.00
     Exponent=  3.1138000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1400000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients= -8.2920000000D-03
     Exponent=  1.5708900000D+00 Coefficients=  1.2784900000D-01
     Exponent=  6.9235400000D-01 Coefficients=  3.2190900000D-01
     Exponent=  2.9041400000D-01 Coefficients=  3.9981900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  3.1947600000D-01
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients=  8.4760000000D-03
     Exponent=  1.5708900000D+00 Coefficients= -1.5798900000D-01
     Exponent=  6.9235400000D-01 Coefficients= -3.9790000000D-01
     Exponent=  2.9041400000D-01 Coefficients= -2.5559900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  4.9141800000D-01
 D 1 1.00
     Exponent=  4.2925000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5900000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2720000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  8.9100000000D-02 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2        8.6365280      150.24299400    0.00000000
                                                     2        3.7176390       18.78003600    0.00000000
                                      P - G
                                                     2        7.6267280       33.19279100    0.00000000
                                                     2        7.4532070       66.38903900    0.00000000
                                                     2        3.3583890        4.62072600    0.00000000
                                                     2        3.2297380        9.26027000    0.00000000
                                      D - G
                                                     2        5.9380860       13.99338300    0.00000000
                                                     2        5.8255440       20.99588200    0.00000000
                                                     2        2.2050190        2.28516600    0.00000000
                                                     2        2.2062920        3.44126000    0.00000000
                                      F - G
                                                     2        4.8002150       -5.23932000    0.00000000
                                                     2        4.7989920       -6.98742400    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  104 primitive shells out of 925 were deleted.
 There are   838 symmetry adapted cartesian basis functions of A   symmetry.
 There are   784 symmetry adapted basis functions of A   symmetry.
   784 basis functions,  1529 primitive gaussians,   838 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0597816524 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2554.1164129086 Hartrees.
 Leave Link  301 at Fri Jul  9 00:21:35 2021, MaxMem= 10737418240 cpu:              41.3 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   56832 LenP2D=  238453.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   784 RedAO= T EigKep=  1.08D-06  NBF=   784
 NBsUse=   781 1.00D-06 EigRej=  8.02D-07 NBFU=   781
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   838   838   838   838   838 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Fri Jul  9 00:21:39 2021, MaxMem= 10737418240 cpu:              62.1 elap:               4.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:21:40 2021, MaxMem= 10737418240 cpu:               6.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:21:44 2021, MaxMem= 10737418240 cpu:              58.0 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10735991813 LenY= 10735288731
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1744.04355207401    
 DIIS: error= 1.29D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1744.04355207401     IErMin= 1 ErrMin= 1.29D-02
 ErrMax= 1.29D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.45D-02 BMatP= 7.45D-02
 IDIUse=3 WtCom= 8.71D-01 WtEn= 1.29D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.306 Goal=   None    Shift=    0.000
 GapD=    0.306 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=3.96D-02 MaxDP=5.62D+00              OVMax= 1.61D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.63D-03    CP:  1.09D+00
 E= -1744.04728720144     Delta-E=       -0.003735127432 Rises=F Damp=T
 DIIS: error= 9.75D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1744.04728720144     IErMin= 2 ErrMin= 9.75D-03
 ErrMax= 9.75D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.26D-02 BMatP= 7.45D-02
 IDIUse=3 WtCom= 9.02D-01 WtEn= 9.75D-02
 Coeff-Com: -0.307D+01 0.407D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.277D+01 0.377D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.50D-02 MaxDP=5.04D+00 DE=-3.74D-03 OVMax= 5.39D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.30D-02    CP:  1.40D+00  3.00D+00
 E= -1744.05935984241     Delta-E=       -0.012072640977 Rises=F Damp=F
 DIIS: error= 4.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1744.05935984241     IErMin= 3 ErrMin= 4.39D-04
 ErrMax= 4.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 4.26D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.39D-03
 Coeff-Com: -0.135D+01 0.179D+01 0.565D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.135D+01 0.178D+01 0.567D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=7.46D-04 MaxDP=1.19D-01 DE=-1.21D-02 OVMax= 4.71D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.92D-04    CP:  1.41D+00  3.00D+00  1.04D+00
 E= -1744.05958906989     Delta-E=       -0.000229227478 Rises=F Damp=F
 DIIS: error= 1.43D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1744.05958906989     IErMin= 4 ErrMin= 1.43D-04
 ErrMax= 1.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-05 BMatP= 2.21D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.43D-03
 Coeff-Com:  0.797D-02-0.128D-01 0.287D+00 0.718D+00
 Coeff-En:   0.000D+00 0.000D+00 0.938D-01 0.906D+00
 Coeff:      0.796D-02-0.128D-01 0.287D+00 0.718D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=3.02D-04 MaxDP=4.90D-02 DE=-2.29D-04 OVMax= 1.36D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.41D+00  3.00D+00  1.06D+00  1.07D+00
 E= -1744.05963178066     Delta-E=       -0.000042710768 Rises=F Damp=F
 DIIS: error= 2.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1744.05963178066     IErMin= 5 ErrMin= 2.08D-05
 ErrMax= 2.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-06 BMatP= 4.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D+00-0.233D+00 0.509D-01 0.224D+00 0.783D+00
 Coeff:      0.175D+00-0.233D+00 0.509D-01 0.224D+00 0.783D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=8.60D-05 MaxDP=1.43D-02 DE=-4.27D-05 OVMax= 3.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.39D-05    CP:  1.41D+00  3.00D+00  1.07D+00  1.13D+00  1.14D+00
 E= -1744.05963389966     Delta-E=       -0.000002118999 Rises=F Damp=F
 DIIS: error= 5.89D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1744.05963389966     IErMin= 6 ErrMin= 5.89D-06
 ErrMax= 5.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 1.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.490D-01-0.648D-01-0.152D-02 0.135D-01 0.226D+00 0.778D+00
 Coeff:      0.490D-01-0.648D-01-0.152D-02 0.135D-01 0.226D+00 0.778D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.15D-05 MaxDP=8.49D-04 DE=-2.12D-06 OVMax= 1.14D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.32D-06    CP:  1.41D+00  3.00D+00  1.07D+00  1.12D+00  1.17D+00
                    CP:  1.03D+00
 E= -1744.05963404949     Delta-E=       -0.000000149828 Rises=F Damp=F
 DIIS: error= 2.65D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1744.05963404949     IErMin= 7 ErrMin= 2.65D-06
 ErrMax= 2.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-08 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-02-0.290D-02-0.496D-02-0.168D-01 0.136D-01 0.340D+00
 Coeff-Com:  0.669D+00
 Coeff:      0.223D-02-0.290D-02-0.496D-02-0.168D-01 0.136D-01 0.340D+00
 Coeff:      0.669D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=6.16D-06 MaxDP=9.37D-04 DE=-1.50D-07 OVMax= 7.60D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.79D-06    CP:  1.41D+00  3.00D+00  1.07D+00  1.12D+00  1.16D+00
                    CP:  1.04D+00  1.01D+00
 E= -1744.05963408486     Delta-E=       -0.000000035367 Rises=F Damp=F
 DIIS: error= 7.85D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1744.05963408486     IErMin= 8 ErrMin= 7.85D-07
 ErrMax= 7.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-09 BMatP= 2.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.730D-02 0.969D-02-0.149D-02-0.851D-02-0.353D-01-0.251D-01
 Coeff-Com:  0.238D+00 0.830D+00
 Coeff:     -0.730D-02 0.969D-02-0.149D-02-0.851D-02-0.353D-01-0.251D-01
 Coeff:      0.238D+00 0.830D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=3.14D-06 MaxDP=4.79D-04 DE=-3.54D-08 OVMax= 3.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.11D+00
 E= -1744.05963409186     Delta-E=       -0.000000007005 Rises=F Damp=F
 DIIS: error= 3.22D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1744.05963409186     IErMin= 9 ErrMin= 3.22D-07
 ErrMax= 3.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-10 BMatP= 3.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.298D-02 0.395D-02 0.353D-04-0.135D-02-0.153D-01-0.470D-01
 Coeff-Com:  0.249D-01 0.292D+00 0.746D+00
 Coeff:     -0.298D-02 0.395D-02 0.353D-04-0.135D-02-0.153D-01-0.470D-01
 Coeff:      0.249D-01 0.292D+00 0.746D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=5.04D-07 MaxDP=3.30D-05 DE=-7.00D-09 OVMax= 1.75D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.14D-07    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.16D+00  1.07D+00
 E= -1744.05963409233     Delta-E=       -0.000000000467 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1744.05963409233     IErMin=10 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.33D-11 BMatP= 3.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.598D-03-0.796D-03 0.348D-03 0.148D-02 0.276D-02-0.987D-02
 Coeff-Com: -0.426D-01-0.965D-01 0.264D+00 0.881D+00
 Coeff:      0.598D-03-0.796D-03 0.348D-03 0.148D-02 0.276D-02-0.987D-02
 Coeff:     -0.426D-01-0.965D-01 0.264D+00 0.881D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=4.11D-07 MaxDP=5.81D-05 DE=-4.67D-10 OVMax= 1.05D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.86D-07    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.17D+00  1.16D+00  1.04D+00
 E= -1744.05963409265     Delta-E=       -0.000000000321 Rises=F Damp=F
 DIIS: error= 4.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1744.05963409265     IErMin=11 ErrMin= 4.34D-08
 ErrMax= 4.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.95D-12 BMatP= 7.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.566D-03-0.750D-03 0.948D-04 0.673D-03 0.280D-02 0.263D-02
 Coeff-Com: -0.174D-01-0.685D-01-0.117D-02 0.280D+00 0.801D+00
 Coeff:      0.566D-03-0.750D-03 0.948D-04 0.673D-03 0.280D-02 0.263D-02
 Coeff:     -0.174D-01-0.685D-01-0.117D-02 0.280D+00 0.801D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=2.28D-05 DE=-3.21D-10 OVMax= 3.80D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.59D-08    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.16D+00  1.15D+00  1.08D+00
                    CP:  1.14D+00
 E= -1744.05963409248     Delta-E=        0.000000000172 Rises=F Damp=F
 DIIS: error= 1.72D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -1744.05963409265     IErMin=12 ErrMin= 1.72D-08
 ErrMax= 1.72D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-12 BMatP= 7.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.818D-04-0.108D-03-0.328D-04-0.263D-04 0.472D-03 0.261D-02
 Coeff-Com:  0.147D-02-0.561D-02-0.430D-01-0.599D-01 0.270D+00 0.834D+00
 Coeff:      0.818D-04-0.108D-03-0.328D-04-0.263D-04 0.472D-03 0.261D-02
 Coeff:      0.147D-02-0.561D-02-0.430D-01-0.599D-01 0.270D+00 0.834D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=4.24D-08 MaxDP=5.86D-06 DE= 1.72D-10 OVMax= 1.44D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.58D-08    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.16D+00  1.15D+00  1.08D+00
                    CP:  1.20D+00  1.10D+00
 E= -1744.05963409283     Delta-E=       -0.000000000353 Rises=F Damp=F
 DIIS: error= 4.69D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -1744.05963409283     IErMin=13 ErrMin= 4.69D-09
 ErrMax= 4.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.76D-14 BMatP= 1.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.543D-04 0.722D-04-0.179D-04-0.937D-04-0.240D-03 0.217D-03
 Coeff-Com:  0.242D-02 0.715D-02-0.883D-02-0.477D-01-0.410D-01 0.162D+00
 Coeff-Com:  0.926D+00
 Coeff:     -0.543D-04 0.722D-04-0.179D-04-0.937D-04-0.240D-03 0.217D-03
 Coeff:      0.242D-02 0.715D-02-0.883D-02-0.477D-01-0.410D-01 0.162D+00
 Coeff:      0.926D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=2.27D-06 DE=-3.53D-10 OVMax= 5.38D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.15D-09    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.16D+00  1.15D+00  1.08D+00
                    CP:  1.20D+00  1.19D+00  1.18D+00
 E= -1744.05963409231     Delta-E=        0.000000000518 Rises=F Damp=F
 DIIS: error= 1.84D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -1744.05963409283     IErMin=14 ErrMin= 1.84D-09
 ErrMax= 1.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-14 BMatP= 9.76D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-04 0.294D-04-0.176D-07-0.219D-04-0.111D-03-0.239D-03
 Coeff-Com:  0.453D-03 0.242D-02 0.264D-02-0.537D-02-0.378D-01-0.489D-01
 Coeff-Com:  0.225D+00 0.862D+00
 Coeff:     -0.222D-04 0.294D-04-0.176D-07-0.219D-04-0.111D-03-0.239D-03
 Coeff:      0.453D-03 0.242D-02 0.264D-02-0.537D-02-0.378D-01-0.489D-01
 Coeff:      0.225D+00 0.862D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=7.02D-09 MaxDP=1.02D-06 DE= 5.18D-10 OVMax= 1.31D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.94D-09    CP:  1.41D+00  3.00D+00  1.06D+00  1.12D+00  1.16D+00
                    CP:  1.05D+00  1.11D+00  1.16D+00  1.15D+00  1.08D+00
                    CP:  1.20D+00  1.19D+00  1.22D+00  1.08D+00
 E= -1744.05963409234     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 6.70D-10 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -1744.05963409283     IErMin=15 ErrMin= 6.70D-10
 ErrMax= 6.70D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-15 BMatP= 1.38D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.332D-05-0.443D-05 0.278D-05 0.853D-05 0.118D-04-0.892D-04
 Coeff-Com: -0.258D-03-0.521D-03 0.199D-02 0.563D-02-0.353D-02-0.372D-01
 Coeff-Com: -0.764D-01 0.234D+00 0.876D+00
 Coeff:      0.332D-05-0.443D-05 0.278D-05 0.853D-05 0.118D-04-0.892D-04
 Coeff:     -0.258D-03-0.521D-03 0.199D-02 0.563D-02-0.353D-02-0.372D-01
 Coeff:     -0.764D-01 0.234D+00 0.876D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.68D-09 MaxDP=1.35D-07 DE=-2.55D-11 OVMax= 5.17D-08

 SCF Done:  E(RwB97XD) =  -1744.05963409     A.U. after   15 cycles
            NFock= 15  Conv=0.17D-08     -V/T= 2.0225
 KE= 1.705616387512D+03 PE=-9.189331805572D+03 EE= 3.185539371059D+03
 Leave Link  502 at Fri Jul  9 01:38:39 2021, MaxMem= 10737418240 cpu:           73743.8 elap:            4614.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   781
 NBasis=   784 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    781 NOA=    95 NOB=    95 NVA=   686 NVB=   686

 **** Warning!!: The largest alpha MO coefficient is  0.11031629D+03

 Leave Link  801 at Fri Jul  9 01:38:40 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14791 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.09D-12 8.33D-09 XBig12= 1.00D+00 2.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.09D-12 8.33D-09 XBig12= 2.42D-01 5.49D-02.
     11 vectors produced by pass  2 Test12= 1.09D-12 8.33D-09 XBig12= 7.99D-02 7.99D-02.
     11 vectors produced by pass  3 Test12= 1.09D-12 8.33D-09 XBig12= 1.15D-02 4.19D-02.
     11 vectors produced by pass  4 Test12= 1.09D-12 8.33D-09 XBig12= 1.79D-03 1.27D-02.
     11 vectors produced by pass  5 Test12= 1.09D-12 8.33D-09 XBig12= 3.29D-04 4.31D-03.
     11 vectors produced by pass  6 Test12= 1.09D-12 8.33D-09 XBig12= 3.65D-05 1.38D-03.
     11 vectors produced by pass  7 Test12= 1.09D-12 8.33D-09 XBig12= 4.99D-06 5.31D-04.
     11 vectors produced by pass  8 Test12= 1.09D-12 8.33D-09 XBig12= 5.14D-07 1.57D-04.
     11 vectors produced by pass  9 Test12= 1.09D-12 8.33D-09 XBig12= 4.44D-08 3.43D-05.
     11 vectors produced by pass 10 Test12= 1.09D-12 8.33D-09 XBig12= 2.93D-09 9.42D-06.
     11 vectors produced by pass 11 Test12= 1.09D-12 8.33D-09 XBig12= 1.67D-10 2.19D-06.
     10 vectors produced by pass 12 Test12= 1.09D-12 8.33D-09 XBig12= 1.04D-11 4.32D-07.
      8 vectors produced by pass 13 Test12= 1.09D-12 8.33D-09 XBig12= 1.51D-12 1.36D-07.
      6 vectors produced by pass 14 Test12= 1.09D-12 8.33D-09 XBig12= 9.07D-13 7.24D-08.
      5 vectors produced by pass 15 Test12= 1.09D-12 8.33D-09 XBig12= 6.35D-13 4.27D-08.
      5 vectors produced by pass 16 Test12= 1.09D-12 8.33D-09 XBig12= 4.67D-13 4.69D-08.
      4 vectors produced by pass 17 Test12= 1.09D-12 8.33D-09 XBig12= 2.41D-13 2.72D-08.
      3 vectors produced by pass 18 Test12= 1.09D-12 8.33D-09 XBig12= 2.46D-13 1.68D-08.
      1 vectors produced by pass 19 Test12= 1.09D-12 8.33D-09 XBig12= 4.86D-14 8.69D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-13
 Solved reduced A of dimension   174 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.334467D+03
      2 -0.344966D+00  0.268312D+03
      3 -0.338487D+01  0.421458D+00  0.250057D+03
 Isotropic polarizability for W=    0.085645      284.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.382381D+01 -0.985495D+02 -0.806149D+01
      2   0.845986D+01  0.190328D+03  0.121217D+00
      3  -0.463605D+01 -0.917787D+02  0.794027D+01
      4   0.268716D+02  0.161375D+02 -0.309189D+02
      5  -0.147586D+02 -0.271942D+02 -0.864273D+01
      6  -0.591554D+01 -0.113159D+02  0.884992D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.224599D+01 -0.140993D+01 -0.515844D+02
      2   0.393348D+00 -0.146732D+02 -0.202385D+01
      3   0.829033D+02 -0.511010D+01  0.165708D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.372464D+01 -0.114371D+02 -0.100629D+03
      2   0.669706D+01 -0.250033D+02 -0.400667D+01
      3   0.125421D+03 -0.767765D+01  0.212787D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.187991D+01 -0.338357D+00 -0.473064D+01
      2  -0.338357D+00  0.911550D+00  0.322947D+00
      3  -0.473064D+01  0.322947D+00 -0.313995D+01
 OR G Eigenvalues:    -5.9868     0.8592     4.7791  Iso=     0.1162
 Eigenvectors:
   (1)   0.514819  -0.014877   0.857170
   (2)   0.108110   0.992994  -0.047697
   (3)   0.850455  -0.117224  -0.512821
 w=    0.085645 a.u., Optical Rotation Beta=      0.1162 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       12.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  307720 ScalPx= 3.55D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.26D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.81D-13 2.78D-09 XBig12= 1.00D+00 2.72D-01.
     30 vectors produced by pass  1 Test12= 1.81D-13 2.78D-09 XBig12= 4.16D-01 1.53D-01.
     30 vectors produced by pass  2 Test12= 1.81D-13 2.78D-09 XBig12= 9.98D-03 2.24D-02.
     30 vectors produced by pass  3 Test12= 1.81D-13 2.78D-09 XBig12= 7.80D-04 4.36D-03.
     30 vectors produced by pass  4 Test12= 1.81D-13 2.78D-09 XBig12= 4.99D-05 8.61D-04.
     30 vectors produced by pass  5 Test12= 1.81D-13 2.78D-09 XBig12= 1.66D-06 1.58D-04.
     30 vectors produced by pass  6 Test12= 1.81D-13 2.78D-09 XBig12= 5.01D-08 2.52D-05.
     30 vectors produced by pass  7 Test12= 1.81D-13 2.78D-09 XBig12= 9.12D-10 2.97D-06.
     30 vectors produced by pass  8 Test12= 1.81D-13 2.78D-09 XBig12= 1.57D-11 3.27D-07.
     30 vectors produced by pass  9 Test12= 1.81D-13 2.78D-09 XBig12= 2.50D-12 8.38D-08.
     13 vectors produced by pass 10 Test12= 1.81D-13 2.78D-09 XBig12= 3.73D-13 2.00D-08.
      4 vectors produced by pass 11 Test12= 1.81D-13 2.78D-09 XBig12= 2.58D-13 2.35D-08.
      1 vectors produced by pass 12 Test12= 1.81D-13 2.78D-09 XBig12= 4.57D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   318 with    30 vectors.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.20D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.20D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.09D+04
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.334467D+03 -0.344966D+00 -0.338487D+01
      2  -0.344966D+00  0.268312D+03  0.421458D+00
      3  -0.338487D+01  0.421458D+00  0.250057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.224599D+01 -0.140993D+01 -0.515844D+02
      2   0.393348D+00 -0.146732D+02 -0.202385D+01
      3   0.829033D+02 -0.511010D+01  0.165708D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.382381D+01 -0.985495D+02 -0.806149D+01
      2   0.845986D+01  0.190328D+03  0.121217D+00
      3  -0.463605D+01 -0.917787D+02  0.794027D+01
      4   0.268716D+02  0.161375D+02 -0.309189D+02
      5  -0.147586D+02 -0.271942D+02 -0.864273D+01
      6  -0.591554D+01 -0.113159D+02  0.884992D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.534117D+01  0.956630D+00  0.897787D+00  0.103016D+01 -0.179243D+01
      2   0.956630D+00 -0.719876D+00 -0.301408D-01 -0.179243D+01 -0.615928D+01
      3   0.897787D+00 -0.301408D-01  0.152070D+01  0.462635D+00  0.760531D+00
                 6             7             8             9            10 
      1   0.462635D+00  0.326209D+01  0.981065D+00  0.336101D-01  0.961944D+01
      2   0.760531D+00  0.981065D+00  0.731506D+00 -0.462018D+00  0.331073D+01
      3   0.710665D+00  0.336101D-01 -0.462018D+00  0.367624D+01 -0.459235D+00
                11            12            13            14            15 
      1   0.331073D+01 -0.459235D+00  0.100826D+02  0.356170D+01 -0.327184D+01
      2   0.512595D+01 -0.187630D+01  0.356170D+01  0.460618D+00  0.247424D+00
      3  -0.187630D+01  0.115648D+01 -0.327184D+01  0.247424D+00  0.196245D+01
                16            17            18            19            20 
      1  -0.566917D+01  0.587718D-01  0.302844D+01  0.140002D+02 -0.299787D+01
      2   0.587718D-01 -0.270588D+01  0.135739D+01 -0.299787D+01  0.251028D+01
      3   0.302844D+01  0.135739D+01 -0.193014D+01  0.485963D+01 -0.148049D+01
                21            22            23            24            25 
      1   0.485963D+01 -0.976632D+01  0.588573D+00  0.357985D+01  0.438717D+01
      2  -0.148049D+01  0.588573D+00 -0.707830D+00 -0.339262D+00  0.262489D+01
      3   0.278984D+01  0.357985D+01 -0.339262D+00 -0.627785D+00 -0.192135D+01
                26            27            28            29            30 
      1   0.262489D+01 -0.192135D+01 -0.659542D+01  0.741980D+00 -0.333692D+01
      2  -0.275112D+01 -0.133894D+00  0.741980D+00  0.574629D+00  0.111184D+01
      3  -0.133894D+00  0.383611D+00 -0.333692D+01  0.111184D+01 -0.320877D+01
                31            32            33            34            35 
      1   0.179754D+01 -0.141528D+01  0.544244D+00 -0.533352D+01  0.135901D+01
      2  -0.141528D+01  0.511942D+01 -0.440461D+00  0.135901D+01  0.816430D+00
      3   0.544244D+00 -0.440461D+00 -0.571277D+00 -0.522763D+01 -0.447976D+00
                36            37            38            39            40 
      1  -0.522763D+01 -0.678555D+01  0.462833D+01  0.913939D+00  0.548786D+01
      2  -0.447976D+00  0.462833D+01 -0.855912D+00 -0.208417D+00 -0.976239D+00
      3  -0.174445D+01  0.913939D+00 -0.208417D+00  0.278867D+01 -0.139022D+00
                41            42            43            44            45 
      1  -0.976239D+00 -0.139022D+00 -0.105968D+00 -0.541710D-01  0.348312D+01
      2  -0.219342D+01  0.826315D+00 -0.541710D-01  0.732179D+00  0.191037D+01
      3   0.826315D+00  0.185057D+01  0.348312D+01  0.191037D+01  0.493516D+00
                46            47            48            49            50 
      1   0.216468D+01 -0.348397D+01  0.491506D+00 -0.599633D+01 -0.110048D+01
      2  -0.348397D+01 -0.549048D+00  0.319124D+00 -0.110048D+01  0.244637D+01
      3   0.491506D+00  0.319124D+00 -0.357360D+01  0.456075D+00 -0.493956D+00
                51            52            53            54            55 
      1   0.456075D+00  0.220258D+01  0.415273D+00 -0.629543D+01  0.357256D+01
      2  -0.493956D+00  0.415273D+00 -0.454981D+00 -0.310348D+01  0.174729D+01
      3  -0.252753D+01 -0.629543D+01 -0.310348D+01  0.804161D+00  0.713203D+00
                56            57            58            59            60 
      1   0.174729D+01  0.713203D+00 -0.115822D+01 -0.439876D+00  0.169572D+01
      2  -0.253375D+01  0.414099D+00 -0.439876D+00  0.111528D+01 -0.149324D+00
      3   0.414099D+00  0.481721D+01  0.169572D+01 -0.149324D+00 -0.110175D+01
                61            62            63            64            65 
      1   0.496908D+01 -0.176285D+01  0.628884D+01 -0.150860D+01 -0.109431D+01
      2  -0.176285D+01  0.122681D+01  0.838312D+00 -0.109431D+01  0.290447D+00
      3   0.628884D+01  0.838312D+00  0.693995D+01  0.159209D+01  0.177298D+01
                66            67            68            69            70 
      1   0.159209D+01  0.146661D+01  0.101691D+01  0.158856D+00 -0.675591D+00
      2   0.177298D+01  0.101691D+01 -0.112020D+01  0.132439D+01 -0.899361D+00
      3   0.665643D+00  0.158856D+00  0.132439D+01  0.433813D+01  0.193602D+01
                71            72            73            74            75 
      1  -0.899361D+00  0.193602D+01 -0.535057D+01  0.148233D+01 -0.183777D+00
      2   0.443337D+01  0.292412D+01  0.148233D+01 -0.118697D+01  0.344730D+01
      3   0.292412D+01  0.810133D+01 -0.183777D+00  0.344730D+01  0.266253D+00
                76            77            78            79            80 
      1   0.117529D+01  0.378828D+00 -0.618138D+00 -0.963118D-02  0.237890D+01
      2   0.378828D+00  0.123430D+02  0.144933D+01  0.237890D+01  0.151251D+01
      3  -0.618138D+00  0.144933D+01  0.165596D+01 -0.940052D+00  0.594519D+00
                81            82            83            84            85 
      1  -0.940052D+00  0.716858D+00 -0.273247D+01 -0.184028D+01 -0.107802D+01
      2   0.594519D+00 -0.273247D+01 -0.449722D+01 -0.678272D+00 -0.290676D+01
      3  -0.246456D+01 -0.184028D+01 -0.678272D+00  0.177016D+01  0.326000D+00
                86            87            88            89            90 
      1  -0.290676D+01  0.326000D+00 -0.135550D+01 -0.274914D-01  0.245290D+01
      2  -0.755270D+01 -0.128143D+01 -0.274914D-01  0.102387D+01 -0.112609D+01
      3  -0.128143D+01  0.394661D-01  0.245290D+01 -0.112609D+01  0.555966D+00
                91            92            93            94            95 
      1  -0.853942D+00 -0.263353D+01  0.187598D+01 -0.668604D+00  0.268139D+01
      2  -0.263353D+01  0.437637D+01 -0.842707D+00  0.268139D+01 -0.742971D+01
      3   0.187598D+01 -0.842707D+00 -0.175329D+01  0.129462D+00  0.144933D+01
                96            97            98            99           100 
      1   0.129462D+00  0.838123D+00 -0.184352D+00 -0.241947D+01  0.694335D+01
      2   0.144933D+01 -0.184352D+00 -0.945341D+00 -0.116275D+01  0.894983D+00
      3   0.211696D-01 -0.241947D+01 -0.116275D+01 -0.553305D+00  0.156735D-01
               101           102           103           104           105 
      1   0.894983D+00  0.156735D-01  0.778240D-01  0.452539D+00 -0.533647D+00
      2   0.184797D+01  0.294532D+01  0.452539D+00  0.115871D+02 -0.144239D+01
      3   0.294532D+01 -0.294430D+00 -0.533647D+00 -0.144239D+01  0.147595D+01
               106           107           108           109           110 
      1   0.568841D+00  0.246654D+01  0.106655D+01 -0.956100D+01  0.392050D+01
      2   0.246654D+01 -0.144952D+01  0.104435D+01  0.392050D+01 -0.610126D+01
      3   0.106655D+01  0.104435D+01  0.246277D+01 -0.548761D-01 -0.153728D+01
               111           112           113           114           115 
      1  -0.548761D-01  0.993880D+01 -0.432367D+01 -0.227868D+01  0.661780D+01
      2  -0.153728D+01 -0.432367D+01  0.765633D+00  0.220588D-01 -0.192792D+00
      3  -0.463150D+00 -0.227868D+01  0.220588D-01  0.172744D+01 -0.308860D+01
               116           117           118           119           120 
      1  -0.192792D+00 -0.308860D+01 -0.151127D+02 -0.292998D+01 -0.502824D+01
      2   0.270185D+01  0.122918D+01 -0.292998D+01 -0.278039D+01 -0.122002D+01
      3   0.122918D+01  0.142007D+01 -0.502824D+01 -0.122002D+01 -0.325069D+01
               121           122           123           124           125 
      1  -0.851557D+01 -0.432975D+00  0.352047D+01 -0.437077D+01  0.262255D+01
      2  -0.432975D+00 -0.466104D+00  0.198784D+00  0.262255D+01  0.249133D+01
      3   0.352047D+01  0.198784D+00 -0.853962D+00  0.157491D+01 -0.229317D+00
               126           127           128           129           130 
      1   0.157491D+01 -0.249126D+01  0.234016D+01  0.259991D+00 -0.548715D+00
      2  -0.229317D+00  0.234016D+01  0.270009D+01  0.621754D+00  0.761044D+00
      3  -0.897234D+00  0.259991D+00  0.621754D+00 -0.467907D+01  0.170848D+01
               131           132           133           134           135 
      1   0.761044D+00  0.170848D+01 -0.514938D+01 -0.194620D+01 -0.619345D+01
      2   0.878852D+00  0.305750D+00 -0.194620D+01 -0.875136D+00  0.837556D+00
      3   0.305750D+00 -0.830410D+00 -0.619345D+01  0.837556D+00 -0.749037D+01
               136           137           138           139           140 
      1   0.438714D+00 -0.114278D+01 -0.142553D+01  0.138315D+01 -0.144067D+01
      2  -0.114278D+01 -0.235725D-01  0.154210D+01 -0.144067D+01 -0.116657D+01
      3  -0.142553D+01  0.154210D+01 -0.449641D+00 -0.239120D+00 -0.172945D+01
               141           142           143           144           145 
      1  -0.239120D+00 -0.995247D-01 -0.131777D+01 -0.161558D+01  0.437231D+01
      2  -0.172945D+01 -0.131777D+01 -0.443035D+01  0.264300D+01 -0.230363D+01
      3   0.421907D+01 -0.161558D+01  0.264300D+01 -0.814972D+01 -0.799121D+00
               146           147           148           149           150 
      1  -0.230363D+01 -0.799121D+00 -0.512044D+01  0.627610D+01 -0.781679D+00
      2   0.343290D+01 -0.147449D+01  0.627610D+01 -0.527494D+01 -0.393128D+00
      3  -0.147449D+01 -0.113615D+01 -0.781679D+00 -0.393128D+00 -0.124557D+01
               151           152           153           154           155 
      1  -0.150620D+01 -0.258893D+01 -0.387249D+00  0.536421D+00 -0.241487D+01
      2  -0.258893D+01  0.785630D-01 -0.205701D+01 -0.241487D+01 -0.563689D+00
      3  -0.387249D+00 -0.205701D+01 -0.153210D+01 -0.233936D+01  0.334369D+01
               156           157           158           159           160 
      1  -0.233936D+01 -0.389163D+01 -0.409792D+00  0.427683D+01 -0.232608D+01
      2   0.334369D+01 -0.409792D+00  0.732608D+00 -0.143815D+01  0.387607D+01
      3   0.163635D+01  0.427683D+01 -0.143815D+01  0.628181D+00  0.185368D+01
               161           162           163           164           165 
      1   0.387607D+01  0.185368D+01  0.462933D+01  0.292737D+01  0.634242D+00
      2  -0.136064D+01  0.101929D+01  0.292737D+01  0.142715D+01 -0.289977D+01
      3   0.101929D+01 -0.127158D+01  0.634242D+00 -0.289977D+01 -0.461425D+00
               166           167           168           169           170 
      1   0.505625D+01  0.259418D+01 -0.427036D+01  0.684432D+00 -0.437482D+01
      2   0.259418D+01 -0.458178D+00  0.853239D+00 -0.437482D+01  0.678286D+00
      3  -0.427036D+01  0.853239D+00 -0.177880D+01  0.356281D+00 -0.193507D+01
               171           172           173           174           175 
      1   0.356281D+00  0.356263D+01  0.262935D+00  0.537932D+00  0.288832D+01
      2  -0.193507D+01  0.262935D+00  0.543265D+00  0.239300D+01  0.241359D+01
      3   0.510348D+00  0.537932D+00  0.239300D+01  0.194961D+01  0.279328D+01
               176           177           178           179           180 
      1   0.241359D+01  0.279328D+01 -0.286786D+00  0.216936D+01  0.312949D+01
      2   0.313354D+01 -0.408909D+00  0.216936D+01 -0.845718D+00  0.292992D+01
      3  -0.408909D+00  0.215074D+01  0.312949D+01  0.292992D+01  0.271854D+01
               181           182           183           184           185 
      1  -0.426382D+00 -0.642040D+01  0.283520D+00  0.583578D+00 -0.376989D+00
      2  -0.642040D+01 -0.386409D+00 -0.233452D+01 -0.376989D+00 -0.979481D+01
      3   0.283520D+00 -0.233452D+01 -0.827080D-01 -0.117244D+01  0.223572D+00
               186           187           188           189           190 
      1  -0.117244D+01 -0.600028D-01 -0.338817D+01  0.850680D-01  0.846858D+01
      2   0.223572D+00 -0.338817D+01  0.191480D+00 -0.475187D+01 -0.123133D+01
      3  -0.170613D+01  0.850680D-01 -0.475187D+01  0.414134D+00 -0.197151D+00
               191           192           193           194           195 
      1  -0.123133D+01 -0.197151D+00 -0.418070D+01  0.118160D+01 -0.523347D+00
      2   0.356310D+00  0.531999D+00  0.118160D+01 -0.999484D+01 -0.225453D+01
      3   0.531999D+00  0.138080D+01 -0.523347D+00 -0.225453D+01 -0.263531D+01
               196           197           198           199           200 
      1  -0.340775D+01  0.683048D+00  0.396974D+00 -0.891581D+01 -0.643271D+00
      2   0.683048D+00 -0.159653D+01 -0.294376D+01 -0.643271D+00 -0.713121D+00
      3   0.396974D+00 -0.294376D+01 -0.661611D+01  0.219910D+00  0.397326D+00
               201           202           203           204           205 
      1   0.219910D+00 -0.328531D+01 -0.150551D+01 -0.282054D+00  0.303755D+01
      2   0.397326D+00 -0.150551D+01 -0.900570D+01  0.243689D+01  0.653172D+00
      3  -0.157643D+01 -0.282054D+00  0.243689D+01 -0.237409D+01 -0.720778D+00
               206           207           208           209           210 
      1   0.653172D+00 -0.720778D+00 -0.222769D+01  0.103058D+01  0.246133D+01
      2   0.166636D+01 -0.261527D+01  0.103058D+01 -0.770941D+00 -0.136119D+01
      3  -0.261527D+01  0.711844D+01  0.246133D+01 -0.136119D+01 -0.418115D+01
               211           212           213           214           215 
      1   0.951778D+00 -0.504106D+00 -0.627257D+00  0.223810D+01 -0.361102D+00
      2  -0.504106D+00  0.638192D+00  0.442138D+00 -0.361102D+00  0.686813D+00
      3  -0.627257D+00  0.442138D+00 -0.830156D-01 -0.233624D+01  0.214763D+00
               216           217           218           219           220 
      1  -0.233624D+01  0.234730D+00 -0.396183D+00 -0.322287D-01 -0.106737D+01
      2   0.214763D+00 -0.396183D+00  0.313814D+00 -0.329057D-01  0.898784D+00
      3   0.376226D+01 -0.322287D-01 -0.329057D-01 -0.907333D+00 -0.119744D+01
               221           222           223           224           225 
      1   0.898784D+00 -0.119744D+01  0.489863D+00 -0.234672D+00 -0.751638D-01
      2  -0.332333D+01  0.340932D+01 -0.234672D+00  0.222202D+01 -0.263989D+01
      3   0.340932D+01 -0.447290D+01 -0.751638D-01 -0.263989D+01  0.408910D+01
               226           227           228           229           230 
      1  -0.149076D+01 -0.546158D+00 -0.709214D+00 -0.163731D+01 -0.122007D+00
      2  -0.546158D+00 -0.426523D+00  0.207946D+00 -0.122007D+00  0.731194D+00
      3  -0.709214D+00  0.207946D+00 -0.932893D+00  0.375811D-02 -0.671100D+00
               231           232           233           234           235 
      1   0.375811D-02 -0.377839D+01 -0.654352D+00  0.898870D+00 -0.272060D+00
      2  -0.671100D+00 -0.654352D+00 -0.116785D+01  0.116280D+01  0.106848D+01
      3  -0.554954D+00  0.898870D+00  0.116280D+01 -0.544330D+01  0.125904D+00
               236           237           238           239           240 
      1   0.106848D+01  0.125904D+00  0.318161D+01  0.182190D+01 -0.731089D+00
      2   0.660063D+00 -0.758181D-01  0.182190D+01  0.867744D+01 -0.125284D+01
      3  -0.758181D-01 -0.263554D+00 -0.731089D+00 -0.125284D+01  0.818981D+00
               241           242           243           244           245 
      1   0.756954D-01  0.125382D-01  0.110793D+00  0.578094D+01  0.204362D+01
      2   0.125382D-01  0.833662D-01  0.896853D+00  0.204362D+01  0.123830D+01
      3   0.110793D+00  0.896853D+00 -0.425092D+00 -0.329434D+01 -0.104224D+01
               246           247           248           249           250 
      1  -0.329434D+01  0.249279D+01  0.182434D+01 -0.117944D+01 -0.585759D+01
      2  -0.104224D+01  0.182434D+01  0.116090D+01 -0.134236D+01 -0.180585D+01
      3   0.246411D+01 -0.117944D+01 -0.134236D+01  0.135452D+01  0.484015D+01
               251           252           253           254           255 
      1  -0.180585D+01  0.484015D+01  0.411700D+01  0.193582D+01  0.173416D+01
      2  -0.169241D+01  0.217693D+01  0.193582D+01  0.123996D+01  0.630189D+00
      3   0.217693D+01 -0.470434D+01  0.173416D+01  0.630189D+00  0.149584D+01
               256           257           258           259           260 
      1   0.285424D+01  0.178946D+01  0.749448D+00  0.421358D+01  0.154851D+01
      2   0.178946D+01  0.147733D+01  0.104917D+01  0.154851D+01  0.189240D+01
      3   0.749448D+00  0.104917D+01  0.111482D+01  0.287866D+01  0.166642D+01
               261           262           263           264           265 
      1   0.287866D+01 -0.238901D+01 -0.141559D+01 -0.933160D+00 -0.195050D+01
      2   0.166642D+01 -0.141559D+01 -0.478730D+00 -0.200849D+00 -0.152134D+00
      3   0.287889D+01 -0.933160D+00 -0.200849D+00 -0.124758D+01  0.227759D-01
               266           267           268           269           270 
      1  -0.152134D+00  0.227759D-01 -0.164641D+01 -0.145227D+00 -0.297611D+00
      2  -0.794378D+00 -0.883270D+00 -0.145227D+00 -0.165446D+01 -0.152078D+01
      3  -0.883270D+00 -0.116676D+01 -0.297611D+00 -0.152078D+01 -0.357028D+01
               271           272           273           274           275 
      1   0.127771D+02 -0.412135D+01 -0.160972D+01 -0.411582D+01  0.287325D+01
      2  -0.412135D+01  0.238150D+01  0.357320D+00  0.287325D+01 -0.176907D+01
      3  -0.160972D+01  0.357320D+00  0.763173D+00  0.567953D+00 -0.387373D+00
               276           277           278           279           280 
      1   0.567953D+00 -0.509774D+00  0.277645D+00  0.117184D+01  0.815680D+01
      2  -0.387373D+00  0.277645D+00 -0.160545D+00 -0.741002D+00 -0.130196D+01
      3  -0.592719D+00  0.117184D+01 -0.741002D+00 -0.332540D+00  0.372705D+01
               281           282           283           284           285 
      1  -0.130196D+01  0.372705D+01  0.331030D+00  0.130487D+01 -0.326043D-01
      2   0.742417D+00 -0.813946D+00  0.130487D+01 -0.868834D+00  0.753703D+00
      3  -0.813946D+00  0.295924D+01 -0.326043D-01  0.753703D+00  0.306946D+00
               286           287           288           289           290 
      1   0.706618D+01 -0.181063D+01  0.471347D+01 -0.154497D+00 -0.103345D+01
      2  -0.181063D+01  0.111449D+01 -0.105876D+01 -0.103345D+01 -0.365799D+00
      3   0.471347D+01 -0.105876D+01  0.492191D+01  0.715298D-01  0.183708D+00
               291           292           293           294           295 
      1   0.715298D-01 -0.310006D+01  0.208908D+01 -0.178622D+00  0.534356D+00
      2   0.183708D+00  0.208908D+01 -0.733453D+01  0.974059D+00 -0.332700D+00
      3   0.226116D+00 -0.178622D+00  0.974059D+00 -0.878289D+00  0.920278D+00
               296           297           298           299           300 
      1  -0.332700D+00  0.920278D+00  0.257841D+01  0.317152D+01  0.962939D+00
      2   0.220904D+00 -0.616890D+00  0.317152D+01  0.620606D+01  0.111708D+01
      3  -0.616890D+00  0.692016D+00  0.962939D+00  0.111708D+01  0.609452D+00
               301           302           303           304           305 
      1   0.232650D+01  0.295296D+01  0.699276D+00  0.532939D+00  0.621035D+00
      2   0.295296D+01  0.107037D+02  0.161451D+01  0.621035D+00  0.742099D+00
      3   0.699276D+00  0.161451D+01  0.111392D+01  0.402799D+00  0.171686D+01
               306           307           308           309           310 
      1   0.402799D+00 -0.388200D+01  0.119839D+01  0.147890D+01  0.236503D+00
      2   0.171686D+01  0.119839D+01 -0.153517D+01 -0.109042D+01 -0.770201D+00
      3   0.643008D+00  0.147890D+01 -0.109042D+01 -0.178442D+01 -0.492005D+00
               311           312           313           314           315 
      1  -0.770201D+00 -0.492005D+00  0.172035D+01 -0.988971D+00 -0.154363D+01
      2   0.169159D+01  0.112511D+01 -0.988971D+00  0.219867D+01  0.151078D+01
      3   0.112511D+01  0.814819D+00 -0.154363D+01  0.151078D+01  0.262857D+01
               316           317           318           319           320 
      1   0.380395D+01  0.114473D+01 -0.172322D+01  0.893807D-01  0.729160D+00
      2   0.114473D+01  0.153768D+01 -0.103571D+01  0.729160D+00  0.147261D+01
      3  -0.172322D+01 -0.103571D+01  0.186257D+01 -0.338616D+00 -0.108104D+01
               321           322           323           324           325 
      1  -0.338616D+00 -0.142831D+01 -0.104386D+01  0.149397D+01 -0.245980D+01
      2  -0.108104D+01 -0.104386D+01 -0.206189D+01  0.148622D+01  0.298852D+01
      3   0.735668D+00  0.149397D+01  0.148622D+01 -0.266247D+01 -0.972596D+00
               326           327           328           329           330 
      1   0.298852D+01 -0.972596D+00  0.217393D+01 -0.278278D+01  0.745472D+00
      2  -0.614501D+01  0.123227D+01 -0.278278D+01  0.106585D+02 -0.176174D+01
      3   0.123227D+01 -0.643661D+00  0.745472D+00 -0.176174D+01  0.117722D+01
               331           332           333           334           335 
      1  -0.504717D+00  0.679028D+00 -0.405223D+00  0.400544D+01  0.113247D+01
      2   0.679028D+00 -0.924326D+00  0.174465D+01  0.113247D+01  0.725946D+00
      3  -0.405223D+00  0.174465D+01 -0.720572D+00 -0.258181D+01 -0.121831D+01
               336           337           338           339           340 
      1  -0.258181D+01  0.110457D+01  0.549336D+00 -0.481617D+00 -0.195757D+01
      2  -0.121831D+01  0.549336D+00  0.579517D+00 -0.402590D+00 -0.273931D+00
      3   0.406848D+01 -0.481617D+00 -0.402590D+00 -0.298047D+00  0.229306D+01
               341           342           343           344           345 
      1  -0.273931D+00  0.229306D+01 -0.207306D+00 -0.426932D+00 -0.101754D+00
      2  -0.653066D+00  0.732605D-01 -0.426932D+00 -0.340823D+00 -0.371270D-01
      3   0.732605D-01 -0.344797D+01 -0.101754D+00 -0.371270D-01  0.945884D+00
               346           347           348           349           350 
      1  -0.104740D+01 -0.809682D+00 -0.110081D+01 -0.473215D+00 -0.189333D+00
      2  -0.809682D+00 -0.330032D+01 -0.338885D+01 -0.189333D+00 -0.228751D+01
      3  -0.110081D+01 -0.338885D+01 -0.450390D+01  0.154089D+00 -0.265101D+01
               351           352           353           354           355 
      1   0.154089D+00 -0.481922D+01  0.286445D+01  0.917638D-01  0.525671D+01
      2  -0.265101D+01  0.286445D+01 -0.321186D+01  0.335208D+00 -0.495542D+01
      3  -0.387054D+01  0.917638D-01  0.335208D+00 -0.274258D+00 -0.405038D+00
               356           357           358           359           360 
      1  -0.495542D+01 -0.405038D+00 -0.216293D+01  0.175158D+01 -0.450830D+00
      2   0.763065D+01 -0.795099D-01  0.175158D+01 -0.208681D+01  0.118295D+01
      3  -0.795099D-01  0.987698D+00 -0.450830D+00  0.118295D+01 -0.591323D+00
               361           362           363           364           365 
      1   0.352819D+01  0.753179D+00  0.762231D+00  0.174727D+01 -0.293637D+00
      2   0.753179D+00  0.713270D+00  0.833066D+00 -0.293637D+00  0.226558D+01
      3   0.762231D+00  0.833066D+00  0.105820D+01  0.688122D-01  0.133947D+01
               366           367           368           369           370 
      1   0.688122D-01  0.212963D+01  0.618520D+00 -0.856400D-02 -0.766510D+01
      2   0.133947D+01  0.618520D+00  0.174545D+01  0.227626D+01  0.245668D+01
      3   0.120313D+01 -0.856400D-02  0.227626D+01  0.365548D+01  0.383281D+01
               371           372           373           374           375 
      1   0.245668D+01  0.383281D+01  0.375312D+01 -0.221135D+01 -0.225032D+01
      2  -0.143144D+01 -0.170728D+01 -0.221135D+01  0.199760D+01  0.175897D+01
      3  -0.170728D+01 -0.286610D+01 -0.225032D+01  0.175897D+01  0.171527D+01
               376           377           378           379           380 
      1   0.375429D+01 -0.155382D+01 -0.352522D+01  0.187968D+01 -0.731601D+00
      2  -0.155382D+01  0.116417D+01  0.140660D+01 -0.731601D+00  0.639492D+00
      3  -0.352522D+01  0.140660D+01  0.348443D+01  0.944387D+00 -0.613837D+00
               381           382           383           384           385 
      1   0.944387D+00 -0.140447D+01  0.389036D+00 -0.649128D+00  0.164996D+01
      2  -0.613837D+00  0.389036D+00 -0.174663D+01  0.134553D+01 -0.561638D+00
      3   0.454210D+00 -0.649128D+00  0.134553D+01 -0.181607D+01 -0.293197D+00
               386           387           388           389           390 
      1  -0.561638D+00 -0.293197D+00 -0.105776D+02 -0.361951D+01  0.123746D+01
      2   0.135502D+01 -0.119028D+01 -0.361951D+01 -0.201196D+01  0.582023D+00
      3  -0.119028D+01  0.313672D+01  0.123746D+01  0.582023D+00 -0.848045D+00
               391           392           393           394           395 
      1  -0.599612D+01 -0.337481D+01  0.106751D+01  0.300144D+01  0.144726D+01
      2  -0.337481D+01 -0.254392D+01  0.307156D+00  0.144726D+01  0.605226D+00
      3   0.106751D+01  0.307156D+00 -0.485397D+00 -0.170831D+01 -0.457869D+00
               396           397           398           399           400 
      1  -0.170831D+01 -0.445614D+01  0.129834D+01 -0.180729D+01  0.318379D+01
      2  -0.457869D+00  0.129834D+01 -0.105909D+01  0.810264D+00 -0.236257D+01
      3   0.817236D+00 -0.180729D+01  0.810264D+00 -0.110828D+01  0.189788D+01
               401           402           403           404           405 
      1  -0.236257D+01  0.189788D+01 -0.366216D+01  0.163085D+01 -0.221245D+01
      2   0.245295D+01 -0.137843D+01  0.163085D+01 -0.135088D+01  0.139403D+01
      3  -0.137843D+01  0.188920D+01 -0.221245D+01  0.139403D+01 -0.278416D+01
               406           407           408           409           410 
      1   0.100228D+01 -0.131783D+01  0.912682D+00 -0.394580D+01 -0.167008D+01
      2  -0.131783D+01  0.192429D+00  0.416754D-01 -0.167008D+01 -0.524517D+01
      3   0.912682D+00  0.416754D-01  0.198527D+00 -0.226889D+00  0.562615D+00
               411           412           413           414           415 
      1  -0.226889D+00  0.306586D+01  0.209248D+00 -0.235705D+00 -0.334606D+01
      2   0.562615D+00  0.209248D+00  0.148084D+01 -0.127538D+01 -0.136102D+01
      3  -0.108211D+01 -0.235705D+00 -0.127538D+01  0.499273D+00 -0.220874D+01
               416           417           418           419           420 
      1  -0.136102D+01 -0.220874D+01 -0.217654D+01 -0.199919D+01 -0.147358D+01
      2  -0.108775D+01 -0.135923D+01 -0.199919D+01 -0.246975D+01 -0.177925D+01
      3  -0.135923D+01 -0.186091D+01 -0.147358D+01 -0.177925D+01 -0.182519D+01
               421           422           423 
      1  -0.470295D+01 -0.239184D+01 -0.366212D+01
      2  -0.239184D+01 -0.234103D+01 -0.311701D+01
      3  -0.366212D+01 -0.311701D+01 -0.560582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.713180D+01  0.563457D+00 -0.381827D+01  0.324131D+01  0.664274D+01
      2   0.373504D+00  0.256077D+01  0.111302D+02  0.878033D+01  0.478534D+01
      3  -0.191856D+02  0.428674D+01  0.290661D+01  0.152150D+02  0.195775D+02
                 6             7             8             9            10 
      1  -0.520031D+01  0.185916D+01  0.650163D+01 -0.119384D+02  0.414603D+00
      2   0.393979D+01 -0.960434D+01 -0.340983D+01  0.234020D+02 -0.207911D+02
      3  -0.246598D+01  0.212215D+01  0.193107D+01  0.795809D+00  0.118050D+02
                11            12            13            14            15 
      1   0.158049D+02 -0.179156D+01  0.268824D+02 -0.488668D+01 -0.437624D+01
      2  -0.139101D+02  0.158308D+01 -0.384108D+02 -0.585815D+01  0.135767D+02
      3  -0.129346D+02  0.668288D+01  0.420417D+01  0.101526D+02 -0.111612D+02
                16            17            18            19            20 
      1   0.192987D+01 -0.875763D+01  0.101345D+02 -0.894734D+01  0.111674D+02
      2   0.835669D+01  0.197914D+01 -0.182716D+02 -0.275262D+02  0.138986D+01
      3  -0.520599D+01  0.628570D+01  0.221310D+01  0.169075D+02 -0.102644D+02
                21            22            23            24            25 
      1  -0.886027D+01 -0.321230D+01 -0.607477D+00 -0.219244D+01  0.734212D+01
      2  -0.591692D+01  0.308746D+02 -0.104768D+02 -0.155155D+02 -0.352388D+02
      3   0.792172D+01 -0.168999D+01  0.100975D+01  0.131979D+02  0.315034D+01
                26            27            28            29            30 
      1  -0.616290D+01 -0.173265D+01 -0.110160D+01  0.253702D+01 -0.322269D+01
      2  -0.675699D+01  0.667868D+01 -0.500021D+00  0.116147D+01 -0.602490D+01
      3   0.151362D+02 -0.559971D+01  0.302337D+01 -0.547802D+01 -0.364325D+00
                31            32            33            34            35 
      1   0.103029D+01  0.958439D+01 -0.541113D+01 -0.870083D+01  0.112793D+01
      2  -0.346223D+01  0.433242D+01 -0.529574D+01 -0.174447D+02 -0.341885D+01
      3   0.129289D+02 -0.267081D+02 -0.107218D+01  0.369089D+00 -0.645302D+01
                36            37            38            39            40 
      1  -0.300602D+00 -0.406314D+01  0.314078D+00  0.256375D+01  0.438061D+00
      2   0.103722D+01 -0.267521D+01  0.282846D+01  0.182676D+02  0.221853D+01
      3   0.888349D+01 -0.205319D+02 -0.243183D+01  0.527914D+00  0.818564D+00
                41            42            43            44            45 
      1   0.275973D+01 -0.132161D+01  0.340491D+01  0.336121D+01 -0.236236D+01
      2   0.508167D+01  0.102960D+02  0.188349D+02  0.109491D+02  0.471596D+01
      3   0.158022D+02 -0.524219D+01 -0.128168D+01 -0.460755D+01 -0.128594D+02
                46            47            48            49            50 
      1   0.490095D+01 -0.258499D+00  0.355426D+01 -0.219489D+01 -0.360070D+01
      2   0.578715D+01 -0.128421D+01 -0.183500D+02 -0.148274D+01 -0.418584D+01
      3   0.254806D+02 -0.416651D+01 -0.185329D+01 -0.174539D+01 -0.166159D+02
                51            52            53            54            55 
      1   0.251305D+01  0.683608D+01  0.707609D+01  0.117100D+01  0.316087D+01
      2  -0.120318D+02 -0.378011D+02 -0.162001D+02  0.191713D+00 -0.118366D+02
      3   0.470257D+01  0.817970D+00  0.322765D+01  0.822825D+01  0.178188D+02
                56            57            58            59            60 
      1  -0.103602D+02  0.341232D+01 -0.977412D+01 -0.405757D+01 -0.307427D+01
      2  -0.311951D+01  0.155190D+02  0.168524D+02  0.502417D+01 -0.546586D+01
      3   0.569680D+01 -0.432934D+01  0.199407D+01  0.261737D+01  0.350662D+01
                61            62            63            64            65 
      1  -0.135694D+02  0.102396D+02 -0.658649D+01 -0.711191D+01 -0.623584D+01
      2   0.759388D+01  0.542803D+01  0.645065D+01  0.236828D+02  0.716160D+01
      3   0.270416D+01 -0.728463D+01  0.826011D+01 -0.157593D+02 -0.144423D+01
                66            67            68            69            70 
      1  -0.921273D-01  0.407009D+01 -0.116462D+02  0.468232D+01 -0.705755D+01
      2   0.414988D+01 -0.260857D+01  0.506635D+01  0.561710D+01  0.339680D+01
      3  -0.752656D+00  0.328935D+01  0.754658D+01 -0.120741D+02 -0.133801D+01
                71            72            73            74            75 
      1   0.962462D+01 -0.860072D+01  0.242795D+02 -0.138654D+02  0.104516D+02
      2   0.819522D+01  0.123976D+02  0.316210D+01 -0.189836D+01  0.401092D+01
      3  -0.677065D+01 -0.933913D+00 -0.246730D+02  0.288664D+01 -0.886975D+01
                76            77            78            79            80 
      1   0.691139D+01  0.393550D+02  0.341804D+01  0.109977D+02  0.756836D+01
      2  -0.760164D+01  0.606142D+01  0.605874D+01  0.227821D+01  0.508594D+01
      3  -0.169124D+01 -0.321771D+02 -0.623639D+01 -0.123118D+02  0.274454D+01
                81            82            83            84            85 
      1   0.165971D+02  0.295811D+01 -0.878540D+00 -0.122525D+02 -0.844054D+01
      2  -0.435851D+01 -0.236912D+01  0.348156D+01  0.558409D+01  0.185343D+01
      3  -0.147428D+02  0.773338D+01 -0.158061D+02 -0.682817D+01 -0.153394D+00
                86            87            88            89            90 
      1  -0.119404D+02 -0.523152D+01 -0.155734D+02  0.662163D+01 -0.107275D+02
      2  -0.375214D+00  0.866748D+00  0.157647D+01  0.167579D+01 -0.299115D+01
      3  -0.359449D+01  0.410503D+01 -0.688243D+01  0.651360D+00  0.143188D+02
                91            92            93            94            95 
      1  -0.267072D+01  0.475364D-01  0.123298D+02 -0.737536D+01  0.111128D+02
      2  -0.179394D+01 -0.384939D+01  0.527736D+01 -0.341163D+00 -0.877228D+00
      3  -0.779867D+01 -0.160202D+02  0.721872D+01  0.988895D+00  0.403698D+01
                96            97            98            99           100 
      1  -0.530476D+01  0.157272D+02  0.692184D+01  0.110576D+02 -0.239396D+02
      2  -0.986970D+00  0.312612D+00 -0.203262D+01 -0.303699D+01  0.974528D+01
      3   0.314516D+01  0.455366D+01  0.351430D+00 -0.140401D+02  0.271784D+02
               101           102           103           104           105 
      1  -0.114266D+02 -0.998292D+01  0.517865D+01 -0.391561D+02  0.451027D+01
      2   0.369726D+01  0.339191D+01  0.524577D+01  0.742190D+01 -0.503411D+01
      3   0.126115D+01  0.660057D+01 -0.177877D+01  0.325228D+02 -0.594891D+01
               106           107           108           109           110 
      1  -0.110084D+02  0.504303D+01 -0.187174D+02  0.321958D+01  0.145901D+02
      2   0.245252D+01 -0.568792D+01 -0.234157D+01 -0.219066D+02  0.116073D+02
      3   0.133541D+02  0.385597D+01  0.164813D+02 -0.121169D+02 -0.141608D+02
               111           112           113           114           115 
      1   0.198677D+00  0.276465D+02  0.247261D+01 -0.379017D+01 -0.434766D+01
      2  -0.205988D+01  0.313765D+02 -0.102921D+02 -0.122519D+02  0.671669D+01
      3  -0.660138D+01  0.134769D+01 -0.114998D+02 -0.717564D+01  0.195739D+01
               116           117           118           119           120 
      1  -0.815216D+01 -0.104114D+02  0.114107D+02  0.118448D+02  0.764068D+01
      2  -0.116855D+01 -0.177462D+02 -0.301608D+02 -0.501897D+01 -0.588118D+01
      3   0.599164D+01 -0.231066D+01 -0.150481D+02 -0.120184D+02 -0.618829D+01
               121           122           123           124           125 
      1  -0.497596D+01  0.152036D+01 -0.280131D+01 -0.916924D+01 -0.605795D+01
      2  -0.286487D+02 -0.772909D+01  0.190686D+02 -0.326078D+02  0.802522D+01
      3   0.186607D+01  0.168949D+01  0.126096D+02  0.473723D-01  0.147069D+02
               126           127           128           129           130 
      1   0.346669D+01 -0.706746D+01 -0.114169D+02 -0.287666D+01 -0.115326D+02
      2   0.905595D+01 -0.133653D+02  0.471342D+01  0.191267D+02 -0.143875D+02
      3   0.470941D+01 -0.139694D+02  0.690128D+01  0.452057D+01  0.409752D+01
               131           132           133           134           135 
      1   0.352739D+01 -0.368006D+01  0.167302D+02  0.923930D+01  0.715753D+01
      2   0.525506D+01  0.521198D+01  0.592729D+01 -0.670449D+01  0.697652D+01
      3  -0.213065D+01  0.281186D+01 -0.533798D+01 -0.673258D+01 -0.744825D+01
               136           137           138           139           140 
      1   0.732216D+01 -0.577690D+01  0.784640D+00  0.719784D+01  0.137381D+02
      2   0.209855D+02 -0.722334D+01  0.395623D+01  0.208748D+01  0.436148D+01
      3   0.130182D+02 -0.174736D+01  0.648684D+00  0.611163D+00 -0.970687D+01
               141           142           143           144           145 
      1   0.565888D+01  0.812352D+01  0.114465D+02  0.974946D+01  0.446394D+01
      2  -0.927761D+01  0.865639D+00 -0.864850D+01  0.129216D+02  0.466419D+01
      3  -0.123044D+02  0.453365D-01 -0.721057D+01 -0.198442D-01  0.226784D+01
               146           147           148           149           150 
      1   0.541024D+01  0.227518D+01  0.599942D+01  0.185911D+00 -0.211391D+00
      2   0.485782D+01  0.930155D+01 -0.555348D+01  0.263660D+01  0.729176D+01
      3   0.381814D+01 -0.104487D+02  0.154051D+02 -0.570091D+01 -0.328748D+01
               151           152           153           154           155 
      1  -0.311948D+01  0.974968D+01  0.580044D+01 -0.402280D+01 -0.318482D+01
      2  -0.506147D+01  0.155047D+02  0.151152D+02  0.959904D+01 -0.134854D+02
      3  -0.106966D+02 -0.560775D+01 -0.109080D+02 -0.150009D+02 -0.729633D+01
               156           157           158           159           160 
      1   0.470399D+01 -0.579812D+01  0.154678D+01 -0.478923D+01  0.701907D+01
      2  -0.232658D+01 -0.187405D+02  0.747694D+01 -0.114855D+02 -0.808474D+01
      3   0.170700D+02 -0.559564D+01  0.504941D+01 -0.272232D+01  0.201593D+02
               161           162           163           164           165 
      1   0.211371D+00  0.262205D+01  0.814681D+00 -0.128897D+01 -0.149712D+01
      2  -0.123274D+02  0.342324D+01 -0.299376D+01  0.183918D+02  0.486726D+01
      3  -0.254973D+01  0.815788D+01  0.176726D+02  0.550772D+01 -0.175651D+02
               166           167           168           169           170 
      1  -0.182065D+01 -0.122146D+01 -0.315178D+01 -0.336557D+01  0.105778D+00
      2   0.290303D+02 -0.324034D+01  0.101246D+02 -0.328825D+01  0.103570D+02
      3   0.166719D+02 -0.372096D+01  0.535928D+01 -0.278488D+02  0.357496D+01
               171           172           173           174           175 
      1  -0.558104D+00 -0.147195D+01  0.327369D+01  0.726992D+00  0.233808D+01
      2  -0.196257D+01  0.567241D+01 -0.910859D+01 -0.552905D+01 -0.704115D+01
      3  -0.107132D+02 -0.151389D+01  0.408107D+00  0.980465D+01  0.127944D+02
               176           177           178           179           180 
      1  -0.925244D+01  0.160358D+01  0.531452D+01  0.116394D+02  0.270631D+01
      2   0.124790D+02 -0.699842D+01 -0.200791D+02 -0.129342D+02 -0.489661D+01
      3   0.136102D+02 -0.105139D+02  0.108529D+02 -0.928729D+01  0.104215D+02
               181           182           183           184           185 
      1   0.176355D+01  0.120166D+02 -0.186839D+00 -0.252221D+02 -0.926802D+00
      2   0.502616D+02  0.322629D+00  0.274059D+02  0.232598D+01 -0.278387D+01
      3  -0.115743D+01 -0.162306D+02 -0.491769D+00  0.726940D+02 -0.152175D+01
               186           187           188           189           190 
      1  -0.488984D+02 -0.211727D+01  0.203748D+02 -0.853226D+00  0.204832D+01
      2  -0.597458D+00 -0.466613D+02  0.636055D+00 -0.236832D+02  0.210580D+01
      3   0.814410D+01 -0.222016D+01 -0.172061D+02  0.128455D+01 -0.110458D+02
               191           192           193           194           195 
      1  -0.533679D+01  0.260653D+00 -0.699162D+01  0.698613D+01 -0.928219D+01
      2   0.461625D+00  0.586524D+01  0.618437D+00  0.744504D+00 -0.217357D+01
      3  -0.977113D+01 -0.171792D+01  0.778164D+01  0.674209D+01  0.662614D+01
               196           197           198           199           200 
      1  -0.435353D-01  0.104536D+02 -0.502355D+01 -0.397907D+01 -0.582905D+01
      2  -0.787061D+01 -0.598661D-01  0.835813D+00  0.319154D+01 -0.573561D+00
      3  -0.194359D+01  0.540973D+01  0.384871D-01  0.915714D+01 -0.105095D+02
               201           202           203           204           205 
      1  -0.803451D+00 -0.782714D+01 -0.593508D+01 -0.702624D+01  0.130411D+00
      2   0.761910D+01 -0.737737D+00  0.161412D+01  0.291668D+01 -0.511646D+01
      3   0.268228D+01  0.491689D+01 -0.593675D+01  0.736339D+01  0.621632D+01
               206           207           208           209           210 
      1   0.110197D+02  0.300002D+01  0.195587D+01 -0.241211D+01  0.238970D+00
      2  -0.842639D+00  0.126365D+01  0.103939D+02 -0.475851D+01 -0.891374D+01
      3   0.526668D+01  0.123527D-01 -0.183558D+01  0.170293D+00  0.319666D+01
               211           212           213           214           215 
      1  -0.123181D+01  0.139941D+01  0.938343D+00  0.161428D+01  0.243766D+01
      2  -0.638317D+01  0.213975D+01  0.146374D+01 -0.121304D+02  0.753594D+00
      3   0.311105D+01 -0.588705D+00 -0.692286D+00  0.372877D+01  0.832231D+00
               216           217           218           219           220 
      1  -0.226097D+01 -0.103206D+01  0.173647D+01 -0.557479D+00  0.233039D+01
      2   0.900120D+01  0.910201D-01  0.939847D+00 -0.125341D+01  0.218299D+01
      3  -0.228723D+01  0.105913D+01 -0.161054D+01 -0.275090D+00  0.104371D+01
               221           222           223           224           225 
      1  -0.850718D+01  0.557424D+01 -0.267217D+00  0.729369D+01 -0.474796D+01
      2   0.367117D+01 -0.475730D+01 -0.242689D+01 -0.480826D+01  0.725434D+01
      3   0.534945D+01 -0.579755D+01 -0.716258D+00 -0.480845D+01  0.503734D+01
               226           227           228           229           230 
      1   0.322883D+01  0.345199D-01  0.228146D+01 -0.432505D+00  0.113638D+01
      2  -0.956839D+01  0.226281D+00 -0.556222D+01 -0.256655D+01 -0.425207D+01
      3  -0.205339D+01  0.167329D+00 -0.262383D+01 -0.194635D+01 -0.242727D+01
               231           232           233           234           235 
      1   0.173582D+01 -0.170194D+01  0.100380D+01  0.127594D+02 -0.227769D+01
      2  -0.229768D+01 -0.503852D+01  0.417795D+01 -0.245917D+02  0.110278D+01
      3   0.285258D+01 -0.484298D+01  0.134270D+01 -0.299680D+01 -0.701491D+01
               236           237           238           239           240 
      1  -0.724281D+00  0.347591D+00  0.663777D+00 -0.701346D+01 -0.327751D+01
      2   0.867865D+00 -0.287376D+00  0.124916D+00 -0.581267D+01  0.337496D+01
      3   0.473804D+00  0.903630D+00  0.649099D+01 -0.287824D+02  0.201649D+01
               241           242           243           244           245 
      1   0.245056D+00 -0.115564D+01  0.282056D+00  0.174763D+01 -0.938992D+00
      2  -0.982837D+00  0.322342D+01 -0.243610D+01 -0.111255D+02 -0.367832D+01
      3   0.766853D+00 -0.113567D+01 -0.320553D+01 -0.379346D+01 -0.557641D+01
               246           247           248           249           250 
      1  -0.291186D+01  0.508763D+00  0.156705D+00 -0.144160D+01 -0.490486D+01
      2   0.121525D+02 -0.364817D+01 -0.537183D+01  0.664351D+01  0.174312D+02
      3   0.144945D+01 -0.415516D+01 -0.379561D+01  0.498690D+01  0.514563D+00
               251           252           253           254           255 
      1   0.125544D+01  0.446488D+01 -0.336765D+01 -0.953713D+00 -0.257290D+01
      2   0.985618D+01 -0.214386D+02  0.958651D+01  0.401973D+01  0.100485D+02
      3   0.810461D+01 -0.494900D+01 -0.534630D+01 -0.587144D+01 -0.678215D+00
               256           257           258           259           260 
      1  -0.181162D+01 -0.164540D+01 -0.338142D+01 -0.394112D+01 -0.149659D+01
      2   0.507523D+01  0.633384D+01  0.653945D+01  0.148609D+02  0.889829D+01
      3  -0.312613D+01 -0.550496D+01 -0.469030D+01 -0.879741D+00 -0.989809D+01
               261           262           263           264           265 
      1  -0.529112D+01  0.143475D+01  0.134015D+01 -0.130858D+01  0.701818D+00
      2   0.178694D+02 -0.110500D+02 -0.409283D+01 -0.816787D+01 -0.299453D+01
      3  -0.468557D+01  0.130295D+02  0.591325D+01  0.276678D+01  0.735228D+01
               266           267           268           269           270 
      1  -0.161510D+00 -0.135367D+01 -0.883227D-01  0.218476D+01 -0.244255D+01
      2  -0.606738D+01 -0.603666D+01 -0.992903D+01 -0.834264D+01 -0.199072D+02
      3   0.547076D+01  0.532987D+01  0.494438D+01  0.889428D+01  0.908389D+01
               271           272           273           274           275 
      1   0.746099D+00 -0.209324D+01  0.155498D+01 -0.999578D+00  0.697626D+00
      2  -0.112698D+01 -0.450674D+00  0.599012D+01  0.366295D-01 -0.507051D+00
      3   0.967911D+01 -0.127165D+02 -0.449124D+00 -0.859692D+01  0.697954D+01
               276           277           278           279           280 
      1  -0.144406D+01  0.446525D+00  0.350482D+00  0.403861D-01  0.274761D+01
      2  -0.395026D+01  0.331692D+01 -0.367848D+01 -0.133850D+01  0.214803D+01
      3   0.125993D+01 -0.660793D+00  0.426024D+00  0.338890D+01 -0.446096D+01
               281           282           283           284           285 
      1   0.369684D+00  0.406975D+01  0.118746D+01 -0.315778D-01  0.551296D+00
      2  -0.840403D+00  0.994639D+01 -0.133193D+01  0.107270D+01  0.181080D+01
      3  -0.391945D+01 -0.143100D+01 -0.529192D+01  0.289881D+01 -0.307804D+01
               286           287           288           289           290 
      1   0.389684D+01  0.238905D+01  0.534951D+01 -0.204749D+01 -0.218462D+01
      2   0.710558D+01 -0.116120D+01  0.144069D+02  0.194205D+01  0.306844D+00
      3  -0.519921D+00 -0.371958D+01 -0.119924D+01  0.675550D+01  0.491840D+01
               291           292           293           294           295 
      1   0.315228D+00  0.166166D+01 -0.827442D+01 -0.355138D+01  0.102547D+00
      2   0.411915D+00  0.317467D+01 -0.108157D+01 -0.390079D+01  0.301994D+00
      3   0.895354D+00 -0.234072D+00  0.326776D+02 -0.289732D+01  0.219997D+01
               296           297           298           299           300 
      1  -0.312674D+00 -0.809534D+00 -0.799755D+00  0.433882D+01 -0.300717D+01
      2  -0.269395D+01 -0.621368D+00 -0.246461D+01 -0.154615D+01  0.710578D+00
      3   0.179015D+01  0.303784D+01  0.108222D+02  0.640948D+01  0.380132D+01
               301           302           303           304           305 
      1  -0.126958D+01  0.589871D+01 -0.644803D+01 -0.139675D+01 -0.452129D+01
      2  -0.206048D+01 -0.387840D+00  0.584234D+00 -0.151862D+01  0.444431D+00
      3   0.113648D+02  0.569663D+01  0.322565D+01  0.248839D+01  0.130329D+01
               306           307           308           309           310 
      1  -0.191447D+00 -0.506578D+01  0.146989D+01  0.766584D+01  0.111047D+01
      2   0.845381D+00  0.105768D+02 -0.769494D+00 -0.178541D+01  0.129481D+01
      3   0.550871D+00 -0.208599D+02  0.277963D+01  0.635559D+01  0.141889D+01
               311           312           313           314           315 
      1  -0.385123D+01 -0.215219D+01  0.553351D+01 -0.277513D+00 -0.798323D+01
      2   0.173668D+01  0.617998D+00 -0.571344D+01  0.194081D+01  0.276755D+01
      3  -0.290607D+01 -0.249561D+01  0.855184D+01 -0.457701D+01 -0.749543D+01
               316           317           318           319           320 
      1   0.564598D+01  0.882122D+00 -0.800295D+01  0.479537D+00  0.407391D+01
      2   0.772128D+01  0.117605D+01 -0.216932D+01 -0.869841D+00  0.986581D+00
      3   0.207130D+02  0.242175D+01 -0.733680D+01  0.458024D+00  0.256159D+01
               321           322           323           324           325 
      1  -0.185654D+01 -0.492304D+01 -0.509032D+00  0.794645D+01  0.108091D+01
      2  -0.921009D-01 -0.473377D+01 -0.186299D+01  0.224964D+01 -0.268461D+01
      3  -0.161072D+01 -0.645974D+01 -0.460353D+01  0.694202D+01 -0.109911D+02
               326           327           328           329           330 
      1   0.409893D+01  0.269929D+01 -0.160527D+01 -0.555187D+01 -0.649763D+01
      2   0.125092D+01  0.702508D+00  0.236765D+01 -0.325796D+00 -0.386730D+00
      3   0.632529D+01 -0.366306D+01  0.110292D+02 -0.625609D+01  0.363786D+01
               331           332           333           334           335 
      1   0.126494D+01 -0.441602D+01  0.491285D+00 -0.275811D+01 -0.244905D+01
      2  -0.166875D+01 -0.212204D+00  0.749281D+00  0.182608D+02  0.541373D+01
      3  -0.251600D+01  0.135143D+01 -0.749496D+00  0.441899D+01 -0.577146D-03
               336           337           338           339           340 
      1  -0.523176D+00 -0.139784D+01 -0.111101D+01  0.112753D+01 -0.195190D+01
      2  -0.826563D+01  0.718114D+01  0.216701D+01 -0.945283D+00 -0.104114D+02
      3  -0.297647D+01  0.289749D+01  0.489376D+00 -0.459746D+00 -0.273430D+01
               341           342           343           344           345 
      1   0.227960D+01  0.220292D+01  0.128314D+01  0.141704D+01  0.427770D+00
      2  -0.117150D+00  0.804556D+01  0.894810D-01 -0.103930D+01 -0.141599D+01
      3   0.106940D+01  0.180660D+01 -0.109806D+01 -0.145512D+01  0.107226D+00
               346           347           348           349           350 
      1   0.192137D+01  0.880853D+01  0.576171D+01  0.513979D+00  0.740314D+01
      2  -0.236981D+01  0.355242D+01  0.470156D+01 -0.267709D+01  0.466204D+01
      3   0.123852D+01 -0.526949D+01 -0.551113D+01  0.609653D+00 -0.482948D+01
               351           352           353           354           355 
      1   0.499297D+01  0.144044D+01 -0.287419D+01  0.257160D+01 -0.217500D+01
      2   0.678002D+01  0.242239D+01 -0.222847D+01  0.290296D+01  0.119993D+01
      3  -0.514582D+01 -0.148628D+01 -0.569523D+01  0.197031D+01 -0.292428D+01
               356           357           358           359           360 
      1   0.450093D+01 -0.492406D+01  0.157169D+01 -0.298974D+01  0.187244D+01
      2   0.128479D+00 -0.537374D+01  0.278413D+00 -0.493491D+01  0.122714D+01
      3   0.170527D+02 -0.130062D+01 -0.145534D+00 -0.415133D+01  0.408825D+01
               361           362           363           364           365 
      1  -0.230507D+00 -0.103777D+01 -0.262840D+01  0.119715D+01 -0.124238D+01
      2  -0.133816D+02 -0.594052D+01 -0.658975D+01 -0.143093D+01 -0.793631D+01
      3   0.164058D+02  0.553620D+01  0.563178D+01  0.566462D+01  0.790088D+01
               366           367           368           369           370 
      1  -0.277831D+01  0.101396D+01 -0.136952D+01 -0.793823D+01  0.417295D+00
      2  -0.593398D+01 -0.762820D+01 -0.113234D+02 -0.166763D+02 -0.670709D+01
      3   0.565050D+01  0.796077D+01  0.849771D+01  0.101969D+02  0.469895D+01
               371           372           373           374           375 
      1  -0.215416D+01  0.275248D+00 -0.647043D+00  0.240018D+01  0.258576D-01
      2   0.492746D+01  0.109228D+02  0.499848D+01 -0.567205D+01 -0.587350D+01
      3  -0.705486D+01 -0.521740D+01 -0.467388D+01  0.909653D+01  0.613772D+01
               376           377           378           379           380 
      1   0.276435D-01  0.239510D+01 -0.111535D+01 -0.197574D+01  0.257407D+01
      2   0.874820D+01 -0.421848D+01 -0.128834D+02 -0.101854D+02  0.546897D+01
      3  -0.441665D+01  0.520547D+01  0.374461D+01 -0.240497D+01  0.413251D+01
               381           382           383           384           385 
      1  -0.233315D+01  0.266706D+01 -0.544753D+01  0.257565D+01 -0.275852D+01
      2  -0.476633D+01  0.855852D+01 -0.886442D+01  0.114012D+02 -0.615092D+01
      3  -0.387167D+01  0.661086D+01 -0.113000D+02  0.672514D+01 -0.448667D+01
               386           387           388           389           390 
      1   0.513123D+01 -0.355417D+01  0.858712D+00 -0.903707D-01 -0.132564D+01
      2   0.822571D+01 -0.148847D+02 -0.836504D+01 -0.411663D+01  0.773761D+01
      3   0.664351D+01 -0.622599D+01 -0.155999D+02 -0.125739D+02  0.283740D+01
               391           392           393           394           395 
      1   0.118194D+01 -0.218189D+00 -0.164870D+01 -0.542556D+00  0.812104D+00
      2  -0.792408D+01 -0.229920D+01  0.435831D+01  0.825977D+01  0.253429D+01
      3  -0.138441D+02 -0.140491D+02  0.103882D+01  0.667734D+01  0.385762D+01
               396           397           398           399           400 
      1   0.102900D+01 -0.117025D+01  0.832400D+00  0.243898D-01  0.917859D+00
      2  -0.590392D+01  0.779089D+01 -0.396521D+01  0.637712D+01 -0.826580D+01
      3  -0.181747D+01  0.605104D+01 -0.723420D+01  0.503832D+01 -0.102828D+02
               401           402           403           404           405 
      1  -0.125449D+01 -0.924158D+00 -0.349251D+00  0.229554D+01  0.186724D-01
      2   0.600333D+01 -0.113476D+02  0.726621D+01 -0.680174D+01  0.148928D+02
      3   0.152885D+02 -0.752740D+01  0.901862D+01 -0.895853D+01  0.765019D+01
               406           407           408           409           410 
      1   0.485547D+01 -0.215322D+01  0.149381D+01  0.712082D+00  0.768410D+01
      2  -0.496400D+01  0.209453D+01 -0.817141D+00 -0.640966D+00 -0.956547D+01
      3  -0.942420D+01  0.437052D+01 -0.413008D+01  0.267812D+01 -0.233040D+02
               411           412           413           414           415 
      1  -0.655675D+01  0.977451D+00 -0.542425D+01  0.500491D+01 -0.196719D+01
      2   0.556307D+01  0.163023D+01  0.864228D+01 -0.828314D+01  0.451923D+01
      3   0.534625D+01 -0.735950D+01  0.964255D+01 -0.987135D+01 -0.136987D+01
               416           417           418           419           420 
      1  -0.739732D+00 -0.231278D+01  0.225867D+00  0.116118D+01 -0.174693D+01
      2   0.376178D+01  0.617315D+01  0.204370D+01  0.382930D+01  0.598251D+01
      3  -0.456316D+01 -0.308847D+01 -0.397945D+01 -0.848346D+01 -0.519141D+01
               421           422           423 
      1  -0.188159D+01  0.211635D+00 -0.555712D+01
      2   0.508303D+01  0.931321D+01  0.193757D+02
      3  -0.300615D+01 -0.770323D+01 -0.912766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393085D+02  0.102839D+02  0.956954D+01  0.191761D+02  0.154318D+02
      2   0.228510D+02 -0.732479D+01 -0.642629D+00 -0.164887D+02 -0.350503D+02
      3   0.164575D+02 -0.295908D+01 -0.892691D+01 -0.268747D+01  0.196185D+02
      4   0.480439D+00 -0.251731D+01  0.670590D+00 -0.625144D+01 -0.420184D+02
      5   0.721817D+01 -0.236528D+01  0.879767D+01 -0.572413D+00  0.267615D+01
      6  -0.214107D+01  0.179535D+00  0.465796D+01  0.288639D+01  0.773127D+01
                 6             7             8             9            10 
      1   0.880165D+00  0.761306D+01  0.262853D+01  0.157638D+02  0.206076D+02
      2   0.552958D+01 -0.313470D+01 -0.168179D+01  0.373484D+01 -0.187718D+02
      3  -0.640975D+01 -0.447836D+01 -0.946743D+00 -0.194986D+02 -0.183580D+01
      4   0.498889D+01  0.658896D+01  0.176391D+01  0.541095D+01  0.275342D+02
      5   0.487846D+01  0.541275D+01  0.978329D+00  0.157343D+02 -0.593385D+00
      6   0.187992D+01  0.785773D+00  0.819582D+00  0.840053D+01 -0.347979D+01
                11            12            13            14            15 
      1   0.102212D+02 -0.293395D+01  0.464905D+02  0.682174D+01 -0.987617D+01
      2   0.105491D+02  0.158684D+01 -0.126344D+02 -0.122385D+02  0.388485D+01
      3  -0.207704D+02  0.134711D+01 -0.338561D+02  0.541674D+01  0.599133D+01
      4   0.134473D+02 -0.711230D+01  0.171492D+02  0.139121D+02 -0.865984D-01
      5  -0.453848D+01  0.874858D+01 -0.197569D+01 -0.224724D+01  0.148184D+01
      6   0.638485D+01 -0.213161D+01 -0.396183D+00 -0.209703D+01  0.591806D+01
                16            17            18            19            20 
      1  -0.204859D+02  0.445462D+01  0.772974D+01  0.605793D+02 -0.156712D+02
      2   0.399606D+01 -0.915660D+01 -0.313179D+01 -0.339953D+02  0.159150D+02
      3   0.164898D+02  0.470197D+01 -0.459795D+01 -0.265840D+02 -0.243846D+00
      4  -0.157102D+01 -0.780415D+01  0.923802D+01 -0.256138D+02  0.101205D+02
      5   0.162128D+02  0.648277D+01 -0.831576D+01  0.399061D+02 -0.871946D+01
      6   0.561303D+01  0.249382D+01 -0.371032D+01 -0.884564D+01  0.565746D+01
                21            22            23            24            25 
      1   0.142468D+02 -0.471085D+02  0.416838D+01  0.102492D+02  0.267013D+02
      2  -0.177148D+02  0.152210D+02  0.100931D+02 -0.732570D+01 -0.744794D+01
      3   0.346792D+01  0.318875D+02 -0.142615D+02 -0.292352D+01 -0.192534D+02
      4  -0.763491D+01  0.359607D+01 -0.117444D+02  0.506756D+01  0.140084D+02
      5   0.142697D+02  0.703715D+01  0.691498D+01  0.122333D+01  0.935788D+00
      6  -0.505104D+01  0.617354D+01 -0.150829D+01 -0.184188D+01  0.100463D+01
                26            27            28            29            30 
      1   0.749990D+01 -0.355554D+01 -0.366164D+02  0.296296D+01 -0.195752D+02
      2  -0.802525D+01 -0.210282D+01  0.277395D+02 -0.819043D+01  0.149422D+02
      3   0.525357D+00  0.565837D+01  0.887688D+01  0.522747D+01  0.463297D+01
      4  -0.459663D+00 -0.302993D+01  0.629378D+01  0.380375D+01  0.108694D+02
      5   0.307869D-02  0.195542D+01 -0.383928D+02  0.106226D+02 -0.343872D+02
      6   0.293728D+00  0.997793D+01  0.926351D+01 -0.179217D+01  0.823360D+01
                31            32            33            34            35 
      1  -0.198024D+01  0.107962D+02  0.341350D+01 -0.316834D+02  0.141525D+02
      2   0.731166D+01 -0.224724D+02 -0.259771D+00  0.252573D+02 -0.101399D+02
      3  -0.533142D+01  0.116761D+02 -0.315373D+01  0.642612D+01 -0.401264D+01
      4  -0.765903D+01  0.349753D+02 -0.344714D+01  0.169830D+02  0.557517D+01
      5   0.652014D+01 -0.564331D+01 -0.726455D+01 -0.562830D+02 -0.137776D+01
      6  -0.371378D+01  0.670694D+01  0.156080D+01  0.122768D+02 -0.205764D+00
                36            37            38            39            40 
      1  -0.375343D+02 -0.727368D+02  0.470078D+02  0.120564D+02  0.518317D+02
      2   0.269157D+02  0.323740D+02 -0.212212D+02 -0.287322D+01 -0.255376D+02
      3   0.106186D+02  0.403629D+02 -0.257865D+02 -0.918315D+01 -0.262941D+02
      4  -0.360056D+00  0.523346D+02 -0.116883D+02 -0.458601D+01 -0.170986D+02
      5  -0.207820D+02  0.131000D+02 -0.514100D+01  0.245472D+02 -0.352836D+01
      6   0.335188D+01 -0.729613D+01  0.198522D+01 -0.480727D+01  0.131776D+01
                41            42            43            44            45 
      1  -0.118696D+02  0.543677D+00  0.412048D+01  0.209658D+01  0.340738D+02
      2   0.777069D+01  0.135523D+01  0.137226D+01  0.166366D+01 -0.166014D+02
      3   0.409887D+01 -0.189890D+01 -0.549274D+01 -0.376025D+01 -0.174724D+02
      4  -0.179263D+02  0.656592D+01 -0.152823D+01  0.608144D+01  0.157732D+02
      5   0.687737D+01  0.162479D+02  0.326562D+02  0.167875D+02  0.357085D+01
      6   0.109276D+01 -0.365411D+01 -0.305504D+01 -0.291713D+01 -0.453558D+01
                46            47            48            49            50 
      1   0.202106D+02 -0.309697D+02 -0.803553D+00 -0.464441D+02 -0.920170D+01
      2  -0.930472D+01  0.177038D+02 -0.555689D+01  0.257780D+02  0.953370D+01
      3  -0.109059D+02  0.132659D+02  0.636045D+01  0.206660D+02 -0.332000D+00
      4  -0.323767D+02 -0.112691D+02  0.319344D+01 -0.164065D+02  0.190796D+02
      5   0.574144D+01  0.555422D+01 -0.389898D+02  0.524901D+01 -0.372179D+01
      6   0.614655D+01 -0.160561D+00 -0.999018D+01  0.122672D+01 -0.381228D+01
                51            52            53            54            55 
      1   0.735661D+00  0.106805D+02 -0.523543D+00 -0.518282D+02 -0.376449D+01
      2  -0.424827D+01 -0.142241D+02 -0.417848D+01  0.270008D+02 -0.104655D+02
      3   0.351261D+01  0.354364D+01  0.470203D+01  0.248274D+02  0.142300D+02
      4  -0.382991D+01  0.294441D+01 -0.478096D+01 -0.398455D+02  0.142257D+02
      5  -0.248940D+02 -0.670951D+02 -0.340428D+02  0.117295D+02  0.479689D+01
      6  -0.744901D+01 -0.185631D+02 -0.730347D+01  0.380637D+01 -0.316888D+01
                56            57            58            59            60 
      1   0.831333D+01 -0.214150D+02 -0.350098D+01 -0.214475D+01  0.484318D+01
      2  -0.939893D+01 -0.127807D+02 -0.280256D+01  0.827209D+01  0.294765D+01
      3   0.108560D+01  0.341956D+02  0.630354D+01 -0.612734D+01 -0.779082D+01
      4  -0.254926D+01 -0.551550D+00  0.459516D+01  0.349748D+01 -0.195353D+01
      5   0.142318D+00  0.255753D+02 -0.929075D+00 -0.730924D+00  0.664485D+01
      6   0.234854D+01  0.704104D+01 -0.127433D+00  0.331694D+01 -0.838534D+01
                61            62            63            64            65 
      1   0.339930D+01 -0.142963D+02 -0.494694D+01 -0.167471D+01 -0.600043D+01
      2  -0.219478D+02  0.875048D+01 -0.280795D+02  0.521187D+01 -0.345350D+01
      3   0.185485D+02  0.554578D+01  0.330265D+02 -0.353716D+01  0.945394D+01
      4  -0.117996D+02  0.434366D+01  0.486808D+00 -0.770735D+00  0.101152D+02
      5   0.284008D+02 -0.402020D+00  0.323824D+02  0.568940D+01 -0.253184D+01
      6  -0.428686D+01 -0.395930D+01  0.867492D+00 -0.853226D+00 -0.543920D+00
                66            67            68            69            70 
      1   0.581086D+01 -0.827759D+01  0.663927D+01 -0.257696D+02 -0.178648D+01
      2  -0.762808D+01  0.393170D+00 -0.170768D+02 -0.656548D+01 -0.508025D+01
      3   0.181722D+01  0.788442D+01  0.104376D+02  0.323351D+02  0.686673D+01
      4  -0.303547D+01  0.484249D+01  0.154404D+01  0.131424D+01 -0.456095D+01
      5   0.374267D+01  0.160518D+00  0.605324D+00  0.184822D+02  0.270693D+01
      6   0.130368D+02  0.405551D+01  0.578507D+01  0.154702D+02  0.416296D+01
                71            72            73            74            75 
      1  -0.221861D+02 -0.221181D+02 -0.128630D+00 -0.433912D+01 -0.500143D+01
      2   0.110614D+02 -0.153089D+02  0.105532D+02 -0.549641D+01  0.261318D+01
      3   0.111247D+02  0.374270D+02 -0.104246D+02  0.983553D+01  0.238825D+01
      4   0.868207D+01  0.849488D+01 -0.748928D+01  0.399621D+00  0.163486D+02
      5   0.773433D+01  0.215513D+02  0.486574D+01  0.128610D+02 -0.103918D+01
      6   0.160427D+02  0.206786D+02  0.118453D+02  0.696347D+01  0.385072D+01
                76            77            78            79            80 
      1   0.122581D+02 -0.328561D+02 -0.948427D+01 -0.877778D+00  0.370143D+01
      2  -0.477533D+01  0.482422D+02 -0.727149D+00  0.470169D+00  0.266087D+01
      3  -0.748272D+01 -0.153861D+02  0.102114D+02  0.407609D+00 -0.636230D+01
      4   0.622973D+01  0.236774D+02  0.407482D+01  0.849050D+01  0.835748D+01
      5   0.172956D+01  0.570234D+01  0.447734D+01 -0.233379D+01  0.162119D+01
      6   0.251513D+01  0.224506D+02  0.102743D+02  0.669867D+01  0.915643D+01
                81            82            83            84            85 
      1  -0.913386D+01  0.854496D+01  0.172059D+02 -0.723106D+00  0.128691D+02
      2   0.976341D+01 -0.136714D+02 -0.395301D+02 -0.545392D+01 -0.248787D+02
      3  -0.629546D+00  0.512648D+01  0.223242D+02  0.617703D+01  0.120096D+02
      4  -0.245258D+01 -0.491520D+00 -0.221498D+02 -0.128770D+02 -0.143101D+02
      5   0.616730D+01  0.656221D+00 -0.763236D+01 -0.455203D+01 -0.306044D+01
      6  -0.729968D+00 -0.160375D+02 -0.770593D+01  0.156853D+02 -0.301771D+01
                86            87            88            89            90 
      1   0.254802D+02  0.588661D+01 -0.247500D+01 -0.370586D+01  0.386524D+01
      2  -0.512450D+02 -0.112459D+02 -0.835322D+00  0.334439D+01 -0.409278D+01
      3   0.257648D+02  0.535929D+01  0.331032D+01  0.361467D+00  0.227542D+00
      4  -0.357715D+02 -0.182669D+01 -0.889388D+01 -0.143181D+01  0.102110D+02
      5  -0.232590D+01  0.108669D+00 -0.412074D+01  0.195166D+01  0.295996D+01
      6  -0.213573D+02 -0.416622D+01  0.175376D+02 -0.104744D+02  0.105842D+01
                91            92            93            94            95 
      1   0.804967D+01 -0.180701D+02  0.608710D+00 -0.126732D+02  0.269007D+02
      2  -0.123388D+02  0.392207D+02 -0.695683D+01  0.231806D+02 -0.507770D+02
      3   0.428910D+01 -0.211507D+02  0.634812D+01 -0.105074D+02  0.238763D+02
      4  -0.995251D+00 -0.201677D+02  0.128996D+02 -0.121186D+02  0.337570D+02
      5   0.154958D+01  0.754628D+01 -0.515273D+01  0.268800D+01 -0.276270D+01
      6   0.161531D+02 -0.848790D+01 -0.152012D+02 -0.424551D+01  0.223834D+02
                96            97            98            99           100 
      1  -0.667453D+01 -0.139093D+01  0.327488D+01  0.373626D+01 -0.541782D+01
      2   0.123741D+02 -0.218622D+01 -0.260389D+01 -0.406562D+01  0.121492D+02
      3  -0.569956D+01  0.357714D+01 -0.670984D+00  0.329354D+00 -0.673141D+01
      4  -0.300570D+01  0.756775D+01 -0.236729D+01 -0.101236D+02  0.121485D+02
      5   0.215165D+00 -0.420488D+01 -0.205301D+01  0.352731D+01  0.278757D+01
      6  -0.490356D+01 -0.169835D+02 -0.105977D+02 -0.857108D+00 -0.110224D+02
               101           102           103           104           105 
      1   0.550436D+01 -0.402113D+01 -0.864529D+01 -0.347212D+02  0.942138D+01
      2   0.520513D+01  0.349579D+01  0.332305D+01  0.472922D+02  0.582928D-01
      3  -0.107095D+02  0.525340D+00  0.532224D+01 -0.125710D+02 -0.947967D+01
      4  -0.205657D+01 -0.148882D+02  0.342078D+01 -0.189878D+02  0.360853D+01
      5  -0.111607D+02 -0.292431D+00 -0.440826D+00  0.442070D+01 -0.303487D+01
      6   0.565619D+01 -0.409623D+01  0.477396D+00 -0.226196D+02  0.943514D+01
               106           107           108           109           110 
      1  -0.292123D+01 -0.172896D+01 -0.957635D+01  0.138976D+02 -0.110401D+02
      2   0.118380D+01 -0.322705D+01  0.766300D+01 -0.113322D+02 -0.123173D+02
      3   0.173743D+01  0.495601D+01  0.191335D+01 -0.256547D+01  0.233574D+02
      4  -0.685682D+01  0.763410D+01  0.196545D+01 -0.313301D+02  0.180439D+02
      5  -0.172864D+01 -0.174819D+01  0.544815D+01  0.430628D+01  0.369505D+01
      6  -0.653547D+01  0.948207D+01 -0.941046D+00  0.597020D+01  0.755873D+01
               111           112           113           114           115 
      1  -0.207383D+01 -0.443953D+02  0.110956D+02  0.635866D+01 -0.286498D+02
      2  -0.186144D+00  0.712113D+01 -0.129026D+02 -0.108627D+01  0.418007D+01
      3   0.225998D+01  0.372741D+02  0.180706D+01 -0.527239D+01  0.244697D+02
      4   0.700920D+01  0.228679D+02 -0.165069D+02 -0.864289D+00  0.761830D+01
      5   0.499091D+01 -0.276045D+01 -0.228921D+01  0.309200D+00  0.137298D+02
      6   0.268102D+01 -0.682684D+00  0.199785D+01  0.602849D+01 -0.209700D+01
               116           117           118           119           120 
      1  -0.363659D+01  0.545196D+01  0.626292D+02  0.129776D+02  0.121519D+02
      2   0.102529D+02  0.596730D+00 -0.363001D+02 -0.127192D+02 -0.173587D+02
      3  -0.661628D+01 -0.604869D+01 -0.263292D+02 -0.258469D+00  0.520684D+01
      4  -0.101964D+02 -0.100272D+02  0.236558D+02  0.112172D+02  0.575056D+01
      5  -0.603729D+01 -0.433127D+01  0.352944D+02  0.596109D+01  0.178105D+02
      6   0.448884D+01  0.172174D+01  0.535864D+01  0.643924D+01  0.573846D+01
               121           122           123           124           125 
      1   0.386019D+02  0.605497D+01 -0.107486D+02  0.263348D+02 -0.917670D+01
      2  -0.746539D+01  0.702644D+01  0.624593D+01 -0.624599D+01  0.806262D+01
      3  -0.311365D+02 -0.130814D+02  0.450264D+01 -0.200888D+02  0.111408D+01
      4   0.345505D+01  0.118558D+02  0.469895D+01 -0.155879D+02  0.247950D+01
      5  -0.876494D+01  0.574843D+01 -0.894602D+00  0.448589D+01  0.168500D+01
      6   0.720862D+01  0.597887D-01 -0.779329D+00 -0.242516D+01 -0.294756D+00
               126           127           128           129           130 
      1  -0.289320D+01 -0.353459D+01 -0.104448D+02 -0.252782D+02  0.208472D+01
      2  -0.328972D+01 -0.643605D+01  0.107319D+02 -0.125277D+02  0.437629D+01
      3   0.618292D+01  0.997064D+01 -0.287062D+00  0.378059D+02 -0.646102D+01
      4   0.521160D+01 -0.198052D+02 -0.133223D+01 -0.309568D+00  0.391288D+01
      5   0.528025D+01  0.221977D+01 -0.869328D+00  0.212607D+02  0.130786D+01
      6  -0.599808D+01  0.203695D+01  0.139362D+01 -0.760931D+01  0.122834D+00
               131           132           133           134           135 
      1  -0.243447D+01 -0.330434D+01  0.691591D+01  0.150718D+02 -0.762485D+01
      2   0.826497D+01 -0.257549D+01 -0.257369D+02 -0.916995D+01 -0.300468D+02
      3  -0.583051D+01  0.587983D+01  0.188210D+02 -0.590185D+01  0.376717D+02
      4  -0.226423D+01 -0.141211D+01  0.105211D+02  0.307308D+01 -0.125139D+01
      5  -0.426886D+00 -0.790467D+01  0.279702D+02 -0.230201D+00  0.356740D+02
      6  -0.395286D+01 -0.853208D+01  0.379963D+01 -0.343223D+01 -0.215763D+01
               136           137           138           139           140 
      1  -0.388062D+01  0.563977D+01  0.807054D+01  0.637685D+01  0.837608D+01
      2   0.584566D+01  0.126316D+01 -0.740067D+01 -0.156151D+01 -0.170936D+02
      3  -0.196504D+01 -0.690293D+01 -0.669869D+00 -0.481534D+01  0.871756D+01
      4   0.131319D+01  0.100907D+02  0.333883D+01  0.748696D+01 -0.306740D+01
      5   0.616283D+01  0.249193D+01  0.246859D+01  0.305743D-01  0.983003D+00
      6   0.102158D+01 -0.118561D+01 -0.107215D+02  0.460288D+01 -0.464693D+01
               141           142           143           144           145 
      1   0.268422D+02 -0.186397D+01  0.220592D+02 -0.223949D+02 -0.191208D+02
      2   0.791437D+01 -0.480162D+01 -0.108770D+02 -0.141369D+02  0.174553D+01
      3  -0.347566D+02  0.666559D+01 -0.111821D+02  0.365319D+02  0.173752D+02
      4   0.933367D+00  0.528937D+01  0.688361D+01 -0.612404D+01  0.190065D+02
      5  -0.155467D+02  0.907988D+00 -0.636046D+01  0.190969D+02  0.157895D+01
      6   0.162608D+02 -0.310720D+01  0.159722D+02 -0.195185D+02  0.107424D+00
               146           147           148           149           150 
      1   0.202421D+01  0.105544D+02  0.565061D+01 -0.178592D+02  0.871517D+01
      2   0.171846D+02 -0.627229D+01  0.201615D+02 -0.117187D+02 -0.432726D+01
      3  -0.192088D+02 -0.428213D+01 -0.258121D+02  0.295779D+02 -0.438791D+01
      4  -0.287440D+02  0.736171D+01 -0.497059D+02  0.440612D+02 -0.186527D+01
      5   0.112857D+02  0.411726D+01  0.126389D+02 -0.245741D+01  0.302344D+01
      6  -0.616126D+01 -0.809609D+01 -0.781731D+00  0.111355D+01 -0.601079D+01
               151           152           153           154           155 
      1   0.124873D+02  0.189297D+02  0.146531D+02 -0.214604D+01  0.205747D+02
      2  -0.121905D+02 -0.195458D+01 -0.740363D+01  0.227499D+01 -0.192934D+02
      3  -0.296785D+00 -0.169751D+02 -0.724947D+01 -0.128948D+00 -0.128139D+01
      4   0.180773D+02 -0.120312D+02  0.596562D+01  0.270460D+02 -0.167676D+01
      5   0.289516D+01  0.794688D+01  0.389221D+01  0.264400D+02 -0.320340D+02
      6  -0.435490D+01 -0.778596D+01 -0.835745D+01 -0.984356D+01  0.265195D+01
               156           157           158           159           160 
      1   0.173325D+02  0.278873D+02  0.607957D+01 -0.401736D+02  0.132843D+02
      2  -0.851714D+01 -0.232171D+02  0.148071D+01  0.181245D+02 -0.546448D+01
      3  -0.881533D+01 -0.467019D+01 -0.756028D+01  0.220491D+02 -0.781979D+01
      4  -0.317721D+02 -0.299370D+01 -0.301097D+01  0.165134D+02 -0.383702D+02
      5  -0.200443D+02 -0.446568D+02  0.132957D+02 -0.123025D+01 -0.205199D+02
      6   0.919090D+01  0.578447D+01 -0.783376D+00 -0.515881D+01  0.101292D+02
               161           162           163           164           165 
      1  -0.344944D+02 -0.136522D+02 -0.490412D+02 -0.308987D+02 -0.438591D+01
      2   0.136113D+02  0.100508D+02  0.206648D+02  0.146341D+02  0.441220D+01
      3   0.208831D+02  0.360143D+01  0.283764D+02  0.162645D+02 -0.262931D-01
      4   0.149196D+02 -0.270447D+01 -0.345407D+02 -0.196043D+02  0.304130D+02
      5  -0.323645D+01  0.152776D+02 -0.360221D+01  0.298631D+02  0.150864D+01
      6  -0.396597D+01 -0.614723D+00  0.717121D+01  0.632435D+00  0.275089D+01
               166           167           168           169           170 
      1  -0.483039D+02 -0.280040D+02  0.427902D+02 -0.233121D+01  0.427270D+02
      2   0.220773D+02  0.138514D+02 -0.213292D+02  0.217961D+01 -0.228540D+02
      3   0.262266D+02  0.141526D+02 -0.214610D+02  0.151596D+00 -0.198730D+02
      4  -0.341395D+02  0.405102D+01 -0.964385D+01  0.465969D+02 -0.737194D+01
      5   0.453433D+02 -0.975986D+01  0.214094D+02 -0.851696D+01  0.195802D+02
      6  -0.264343D+01  0.415492D+01 -0.320247D+01  0.389122D+01 -0.322768D+01
               171           172           173           174           175 
      1  -0.409363D+01 -0.173978D+02  0.613623D+01  0.441581D+01  0.300315D+01
      2   0.183974D+01  0.121857D+02  0.127227D+00 -0.246218D+01 -0.462883D+01
      3   0.225389D+01  0.521207D+01 -0.626346D+01 -0.195363D+01  0.162568D+01
      4   0.187496D+02  0.835159D+00 -0.529742D+01 -0.193410D+02 -0.191032D+02
      5  -0.604693D+01 -0.735273D+01 -0.194877D+02 -0.210213D+02 -0.247014D+02
      6   0.429390D+01 -0.485657D+01 -0.648691D+01 -0.700760D+01 -0.792411D+01
               176           177           178           179           180 
      1  -0.323388D+01 -0.200899D+02  0.104263D+02 -0.170781D+02 -0.101201D+02
      2  -0.464214D+01  0.168510D+02  0.271778D+01  0.191071D+02  0.851069D+01
      3   0.787602D+01  0.323896D+01 -0.131441D+02 -0.202898D+01  0.160937D+01
      4  -0.228054D+02 -0.163090D+00 -0.214756D+02  0.230454D+01 -0.268600D+02
      5  -0.209362D+00 -0.176132D+02 -0.309675D+02 -0.280309D+02 -0.305079D+02
      6  -0.179762D+01 -0.678137D+01 -0.147809D+02 -0.946151D+01 -0.136713D+02
               181           182           183           184           185 
      1  -0.625805D+02  0.118689D+01 -0.105524D+02  0.108557D+01  0.119072D+02
      2   0.446001D+02 -0.965407D+00  0.268685D+02 -0.438209D+00 -0.169033D+02
      3   0.179804D+02 -0.221485D+00 -0.163161D+02 -0.647357D+00  0.499618D+01
      4   0.116725D+01 -0.156319D+02 -0.303023D-01 -0.106171D+02 -0.201857D+01
      5  -0.358547D+02  0.514081D+00 -0.365832D+02 -0.868566D+00 -0.898400D+01
      6  -0.417461D+00 -0.558258D+01 -0.308958D+00 -0.128981D+02  0.110789D+00
               186           187           188           189           190 
      1  -0.154126D+00 -0.158930D+02  0.612954D+00  0.170099D+02  0.305110D+02
      2  -0.398501D+00  0.301753D+02 -0.266700D+00  0.237381D+02 -0.133893D+02
      3   0.552627D+00 -0.142823D+02 -0.346254D+00 -0.407480D+02 -0.171217D+02
      4  -0.670106D+01  0.855993D+00 -0.147062D+02 -0.356901D+00 -0.223480D+02
      5  -0.585138D+00 -0.237549D+02  0.911005D+00 -0.349344D+02 -0.124992D+02
      6  -0.171891D+02 -0.211785D+00 -0.831855D+01 -0.351281D+00  0.990991D+01
               191           192           193           194           195 
      1  -0.139925D+01 -0.161246D+01 -0.255158D+01 -0.464495D+02 -0.163640D+02
      2  -0.468415D+01  0.355519D+01 -0.801180D+01  0.746244D+02  0.135405D+02
      3   0.608341D+01 -0.194273D+01  0.105634D+02 -0.281749D+02  0.282348D+01
      4   0.251935D+02  0.101176D+02  0.243626D+02 -0.261581D+02 -0.949015D+01
      5   0.978046D+01  0.194471D+02  0.319147D+01 -0.108070D+02 -0.625218D+01
      6  -0.349158D+01 -0.688992D+01 -0.708635D+01  0.308174D+02  0.301598D+02
               196           197           198           199           200 
      1  -0.174580D+01 -0.181054D+02 -0.248765D+02  0.328968D+02 -0.278189D+00
      2   0.623583D+01  0.774902D+01 -0.363222D+01 -0.166594D+02  0.629970D+01
      3  -0.449003D+01  0.103564D+02  0.285087D+02 -0.162374D+02 -0.602151D+01
      4   0.713593D+01 -0.562883D+01 -0.120483D+02  0.199833D+02  0.232289D+02
      5   0.199039D+02 -0.116113D+02 -0.181539D+02 -0.159744D+02 -0.841155D+01
      6  -0.109140D+02  0.324273D+02  0.346747D+02 -0.889406D+01 -0.444455D+01
               201           202           203           204           205 
      1  -0.167574D+01 -0.427457D+00 -0.391369D+02  0.169988D+02  0.228949D+01
      2   0.514011D+01  0.904014D+01  0.611681D+02 -0.135544D+02  0.580758D+01
      3  -0.346438D+01 -0.861268D+01 -0.220312D+02 -0.344446D+01 -0.809707D+01
      4  -0.964871D+01  0.241618D+02  0.264830D+02 -0.110543D+02 -0.686361D+01
      5   0.226661D+02 -0.284889D+01 -0.126809D+02  0.756577D+01  0.221944D+02
      6   0.737017D+01 -0.870767D+01 -0.314759D+02  0.299168D+02  0.125104D+02
               206           207           208           209           210 
      1   0.180471D+02 -0.252241D+02 -0.707513D+01  0.625309D+01  0.185649D+02
      2  -0.734048D+01 -0.969641D+01 -0.763911D+01  0.106945D+01  0.101337D+02
      3  -0.107066D+02  0.349205D+02  0.147142D+02 -0.732254D+01 -0.286986D+02
      4  -0.619529D+01  0.128666D+02 -0.379207D+01  0.157783D+01  0.299478D+01
      5   0.125108D+02 -0.223497D+02 -0.108829D+02  0.299445D+01  0.107337D+02
      6   0.295180D+02 -0.345820D+02  0.825042D+01 -0.723280D+01 -0.136644D+02
               211           212           213           214           215 
      1   0.269408D+01 -0.319140D+01 -0.871528D+00  0.947695D+01 -0.227229D+01
      2  -0.831354D+00  0.337433D+00  0.254614D+01  0.482692D+01 -0.569623D+00
      3  -0.186273D+01  0.285397D+01 -0.167461D+01 -0.143039D+02  0.284191D+01
      4   0.135856D+01 -0.205650D+01 -0.125160D+01  0.155259D+01 -0.196266D+01
      5   0.261329D+01 -0.246501D+01 -0.357090D+01  0.828305D+01 -0.245262D+01
      6  -0.400970D+01  0.426456D+01  0.473490D+01 -0.518033D+01  0.474379D+01
               216           217           218           219           220 
      1  -0.163573D+02 -0.841344D-01 -0.156940D+01  0.450084D+01  0.129408D+01
      2  -0.109506D+02  0.297898D+00 -0.872039D+00  0.346607D+01  0.308298D+01
      3   0.273079D+02 -0.213764D+00  0.244144D+01 -0.796692D+01 -0.437706D+01
      4  -0.251054D+01 -0.205004D+01  0.187854D+01 -0.160125D+01  0.513242D+01
      5  -0.113954D+02  0.690575D+00 -0.257513D+01  0.940760D+00 -0.804426D+01
      6   0.750928D+01 -0.279876D+01  0.107386D+01  0.504570D+00  0.581036D+01
               221           222           223           224           225 
      1  -0.153864D+02  0.186908D+02  0.471842D+00  0.120225D+02 -0.202548D+02
      2   0.596156D+00  0.588695D+01 -0.360236D+00  0.220895D+01 -0.612264D+01
      3   0.147903D+02 -0.245777D+02 -0.111607D+00 -0.142314D+02  0.263774D+02
      4  -0.102289D+02  0.104195D+02 -0.259107D+01  0.442016D+01 -0.592152D+01
      5   0.119209D+02 -0.165744D+02  0.304015D+01 -0.722395D+01  0.101580D+02
      6  -0.220860D+02  0.246854D+02 -0.214333D+01  0.156721D+02 -0.205073D+02
               226           227           228           229           230 
      1  -0.257232D+01  0.158467D+00 -0.681971D+01 -0.102656D+02 -0.532466D+01
      2  -0.121928D+01 -0.408413D+00  0.138849D+01  0.727828D+01  0.539656D+01
      3   0.379160D+01  0.249946D+00  0.543122D+01  0.298732D+01 -0.719004D-01
      4  -0.464321D+01 -0.123515D+01 -0.204556D+00 -0.782920D+00  0.436752D+01
      5  -0.852073D+00  0.190558D+01 -0.108101D+01  0.134684D+01 -0.298527D+01
      6  -0.656362D-01  0.116442D+01 -0.309319D+01 -0.201119D+00 -0.264588D+01
               231           232           233           234           235 
      1   0.107177D+01 -0.189889D+02  0.845303D+00 -0.142816D+02 -0.133915D+01
      2  -0.471376D+01  0.929983D+01 -0.678410D+00 -0.999100D+01  0.756206D+01
      3   0.364200D+01  0.968910D+01 -0.166893D+00  0.242726D+02 -0.622290D+01
      4  -0.389967D+01 -0.976468D+01 -0.630672D+01  0.301940D+01  0.703491D+01
      5  -0.319412D+01  0.100510D+02  0.517696D+01 -0.269978D+02  0.497741D+00
      6   0.175449D+01  0.150102D+01  0.640688D+01 -0.147494D+02 -0.147664D+00
               236           237           238           239           240 
      1   0.573231D+01  0.567659D+00  0.105381D+02 -0.247889D+02  0.101914D+01
      2  -0.624215D+00 -0.674212D+00  0.351864D+01  0.520551D+02 -0.448055D+01
      3  -0.510809D+01  0.106554D+00 -0.140567D+02 -0.272661D+02  0.346142D+01
      4   0.125407D+02 -0.506282D+00  0.231235D+02  0.564820D+02 -0.838328D+01
      5  -0.114393D+01 -0.168233D+00 -0.627977D+01 -0.474259D+01  0.505036D+01
      6  -0.100396D+01 -0.138846D+00 -0.410208D+01 -0.122948D+02  0.711983D+01
               241           242           243           244           245 
      1   0.785921D+00  0.383431D+00 -0.525962D+01  0.539525D+02  0.179368D+02
      2  -0.186375D+00  0.169681D+01  0.355185D+01 -0.316731D+02 -0.904630D+01
      3  -0.599546D+00 -0.208024D+01  0.170777D+01 -0.222793D+02 -0.889052D+01
      4   0.187524D+00  0.102450D+01  0.516510D+01  0.298041D+02  0.174521D+02
      5   0.154114D+01  0.555871D+01 -0.204762D+01 -0.413808D+02 -0.124408D+02
      6   0.110311D+01  0.708661D+01 -0.208355D+01 -0.957903D+01 -0.478208D+01
               246           247           248           249           250 
      1  -0.273771D+02  0.183422D+02  0.105552D+02 -0.600984D+01 -0.446811D+02
      2   0.185708D+02 -0.788513D+01 -0.458728D+01  0.285100D+01  0.317509D+02
      3   0.880624D+01 -0.104571D+02 -0.596796D+01  0.315884D+01  0.129302D+02
      4  -0.145986D+02  0.236599D+02  0.148018D+02 -0.153803D+02 -0.261098D+02
      5   0.320865D+02 -0.143244D+02 -0.148194D+02  0.147980D+02  0.557975D+02
      6   0.740706D+01 -0.740496D+01 -0.657241D+01  0.885604D+01  0.140177D+02
               251           252           253           254           255 
      1  -0.105515D+02  0.299257D+02  0.433123D+02  0.173143D+02  0.172093D+02
      2   0.687146D+01 -0.270372D+02 -0.196801D+02 -0.661689D+01 -0.769666D+01
      3   0.368004D+01 -0.288854D+01 -0.236322D+02 -0.106974D+02 -0.951266D+01
      4  -0.202470D+02  0.262449D+02  0.264391D+02  0.170936D+02  0.929892D+01
      5   0.230401D+02 -0.521841D+02  0.195428D+02  0.663018D+01  0.183964D+02
      6   0.100623D+02 -0.143656D+02  0.467723D+01  0.204355D+01  0.454594D+01
               256           257           258           259           260 
      1   0.223479D+02  0.117952D+02  0.451640D+01  0.405090D+02  0.120520D+02
      2  -0.748318D+01 -0.112980D+01  0.817808D+00 -0.178838D+02 -0.236571D+01
      3  -0.148647D+02 -0.106654D+02 -0.533421D+01 -0.226252D+02 -0.968630D+01
      4   0.237539D+02  0.179351D+02  0.124890D+02  0.237771D+02  0.224512D+02
      5   0.739034D+01  0.111862D+02  0.113997D+02  0.323988D+02  0.179598D+02
      6   0.366159D+01  0.492070D+01  0.585577D+01  0.947085D+01  0.620615D+01
               261           262           263           264           265 
      1   0.236362D+02 -0.171010D+02 -0.118488D+02 -0.963763D+01 -0.158367D+02
      2  -0.117639D+02  0.943834D+01  0.521622D+01  0.276000D+01  0.862663D+01
      3  -0.118723D+02  0.766262D+01  0.663261D+01  0.687762D+01  0.721006D+01
      4   0.212985D+02 -0.732634D+01 -0.265318D+01 -0.396263D+00  0.391378D+01
      5   0.306370D+02 -0.457618D+01 -0.601293D+00 -0.965689D+01  0.261944D+01
      6   0.884724D+01  0.418034D+01  0.127940D+01  0.323482D+01  0.155885D+01
               266           267           268           269           270 
      1  -0.427872D+01 -0.218238D+01 -0.151331D+02 -0.684213D+01 -0.151204D+02
      2   0.256149D+01  0.952884D+00  0.657707D+01  0.173680D+01 -0.169307D+01
      3   0.171723D+01  0.122949D+01  0.855606D+01  0.510534D+01  0.168134D+02
      4  -0.543868D+01 -0.683317D+01  0.991196D+00 -0.127590D+02 -0.108716D+02
      5  -0.667989D+01 -0.963958D+01  0.778054D+00 -0.121643D+02 -0.280794D+02
      6   0.433928D+01  0.668205D+01  0.934376D+00  0.758699D+01  0.103601D+02
               271           272           273           274           275 
      1   0.137594D+03 -0.406776D+02 -0.151506D+02 -0.395013D+02  0.252418D+02
      2  -0.665055D+02  0.172700D+02  0.844546D+01  0.148951D+02 -0.809567D+01
      3  -0.710886D+02  0.234077D+02  0.670519D+01  0.246063D+02 -0.171461D+02
      4  -0.557409D+02  0.316240D+02  0.582160D+01  0.371387D+02 -0.223513D+02
      5  -0.223275D+02  0.620043D+01  0.126033D+02  0.746192D+01 -0.456790D+01
      6   0.712969D+01 -0.394555D+01 -0.285028D+01 -0.430656D+01  0.269725D+01
               276           277           278           279           280 
      1   0.418171D+01 -0.470847D+01  0.102044D+01  0.104528D+02  0.629272D+02
      2  -0.214625D+01  0.330652D+01 -0.137829D+01 -0.618749D+01 -0.407060D+02
      3  -0.203546D+01  0.140195D+01  0.357855D+00 -0.426528D+01 -0.222212D+02
      4  -0.420650D+01  0.263464D+01 -0.148936D+01 -0.805872D+01 -0.171138D+02
      5  -0.665540D+01  0.158679D+02 -0.819355D+01 -0.414600D+01  0.488206D+02
      6   0.298995D+01 -0.345323D+01  0.288429D+01  0.179526D+01 -0.895339D+01
               281           282           283           284           285 
      1  -0.724080D+01  0.264258D+02  0.635559D+01  0.420308D+01  0.233732D-01
      2   0.411619D+01 -0.197641D+02 -0.645660D+01 -0.657377D+00 -0.260856D+01
      3   0.312462D+01 -0.666171D+01  0.101015D+00 -0.354570D+01  0.258519D+01
      4   0.997580D+01 -0.101592D+02  0.114910D+02 -0.713990D+01  0.720550D+01
      5  -0.940825D+01  0.375459D+02  0.173190D+00  0.832596D+01  0.270627D+01
      6   0.418472D+01 -0.783291D+01  0.390603D+01 -0.203807D+01  0.394335D+01
               286           287           288           289           290 
      1   0.433404D+02 -0.988440D+01  0.233707D+02 -0.117330D+01 -0.815916D+01
      2  -0.332563D+02  0.633676D+01 -0.266068D+02  0.267505D+01  0.568743D+01
      3  -0.100841D+02  0.354764D+01  0.323612D+01 -0.150174D+01  0.247173D+01
      4  -0.203670D+02  0.104408D+02 -0.120853D+02 -0.550594D+01  0.892188D+00
      5   0.545504D+02 -0.120248D+02  0.512137D+02  0.254292D+01  0.150571D+00
      6  -0.127156D+02  0.709582D+01 -0.112928D+02 -0.378930D+00 -0.317776D+01
               291           292           293           294           295 
      1   0.374696D+01 -0.138189D+02 -0.147419D+02  0.245499D+01  0.166140D+01
      2  -0.202438D+01 -0.200409D-01  0.344322D+02 -0.314544D+01 -0.215008D+01
      3  -0.172258D+01  0.138389D+02 -0.196904D+02  0.690445D+00  0.488673D+00
      4   0.397705D+00  0.199803D+02 -0.526309D+02  0.688408D+01 -0.231760D+01
      5   0.379889D+01 -0.407764D+01  0.928563D+01 -0.743335D+01  0.102039D+02
      6  -0.891225D+00  0.320027D+01 -0.120849D+02  0.639844D+01 -0.275298D+01
               296           297           298           299           300 
      1   0.350011D+00  0.418920D+01 -0.491358D+01 -0.213848D+02 -0.419699D+01
      2   0.115644D+01 -0.116310D+01  0.172836D+02  0.451236D+02  0.649233D+01
      3  -0.150645D+01 -0.302610D+01 -0.123700D+02 -0.237388D+02 -0.229534D+01
      4  -0.135344D+01 -0.525488D+01  0.215725D+02  0.323163D+02  0.744938D+01
      5  -0.510426D+01  0.348987D+01  0.467510D+01  0.510844D+01  0.465576D+01
      6   0.429896D+01 -0.348208D+01  0.924870D+01  0.149037D+02  0.617056D+01
               301           302           303           304           305 
      1  -0.109814D+02 -0.440489D+02 -0.793163D+01 -0.112314D+01 -0.409124D+01
      2   0.235519D+02  0.832958D+02  0.128608D+02  0.174879D+01  0.373229D+01
      3  -0.125705D+02 -0.392469D+02 -0.492918D+01 -0.625644D+00  0.358953D+00
      4   0.200272D+02  0.370514D+02  0.618613D+01  0.378210D+01  0.419674D+01
      5   0.320005D+01  0.532877D+01  0.225107D+01  0.404945D+01  0.343735D+01
      6   0.755021D+01  0.246461D+02  0.120387D+02  0.359745D+01  0.155259D+02
               306           307           308           309           310 
      1  -0.677032D+01  0.279507D+01  0.897129D+01  0.538136D+01  0.418942D+01
      2   0.903919D+01  0.192940D+00 -0.974165D+01 -0.377710D+01 -0.442560D+01
      3  -0.226887D+01 -0.298801D+01  0.770359D+00 -0.160426D+01  0.236176D+00
      4   0.495363D+01 -0.171496D+02  0.105803D+02  0.916835D+01  0.572230D+01
      5   0.259510D+01 -0.871821D+01  0.454040D+01  0.578570D+01  0.125497D+01
      6   0.609098D+01  0.131214D+02 -0.111622D+02 -0.158123D+02 -0.478466D+01
               311           312           313           314           315 
      1  -0.735477D+01 -0.552899D+01  0.436635D+01 -0.110310D+02 -0.102846D+02
      2   0.113462D+02  0.779895D+01 -0.174822D+01  0.113962D+02  0.315363D+01
      3  -0.399145D+01 -0.226996D+01 -0.261814D+01 -0.365177D+00  0.713096D+01
      4  -0.473121D+01 -0.297524D+01  0.940794D+01 -0.484730D+01 -0.842318D+01
      5  -0.240975D+01 -0.200664D+01  0.609196D+01 -0.336110D+01 -0.583769D+01
      6   0.113143D+02  0.901154D+01 -0.121932D+02  0.158339D+02  0.206486D+02
               316           317           318           319           320 
      1   0.292047D+01 -0.906818D+01  0.433390D+01 -0.431863D+01 -0.605831D+01
      2  -0.101376D+01  0.975810D+01 -0.232261D+01  0.467068D+01  0.950197D+01
      3  -0.190671D+01 -0.689922D+00 -0.201128D+01 -0.352053D+00 -0.344366D+01
      4   0.178480D+02  0.101699D+02 -0.102724D+02  0.459819D+01  0.469450D+01
      5  -0.100626D+02 -0.466305D+01  0.666919D+01 -0.645571D+00 -0.256662D+01
      6  -0.142730D+02 -0.110716D+02  0.162503D+02 -0.401668D+01 -0.104811D+02
               321           322           323           324           325 
      1   0.557121D+01  0.524792D+01  0.100489D+02 -0.102435D+02 -0.509162D+01
      2  -0.778960D+01 -0.235301D+01 -0.100894D+02  0.262555D+01  0.161666D+02
      3   0.221839D+01 -0.289491D+01  0.404968D-01  0.761798D+01 -0.110750D+02
      4  -0.257366D+01 -0.860043D+01 -0.530946D+01  0.859517D+01 -0.200982D+02
      5   0.188097D+01  0.599777D+01  0.379899D+01 -0.663802D+01  0.477029D+01
      6   0.840887D+01  0.119217D+02  0.154247D+02 -0.206434D+02 -0.932210D+01
               326           327           328           329           330 
      1   0.224346D+02 -0.473988D+01  0.108434D+02 -0.452090D+02  0.862086D+01
      2  -0.448850D+02  0.709506D+01 -0.221828D+02  0.832727D+02 -0.137576D+02
      3   0.224504D+02 -0.235517D+01  0.113394D+02 -0.380637D+02  0.513675D+01
      4   0.307799D+02 -0.768167D+01  0.187384D+02 -0.346687D+02  0.639679D+01
      5  -0.539754D+01  0.472957D+01 -0.337111D+01  0.537249D+01 -0.224388D+01
      6   0.157589D+02 -0.658700D+01  0.777256D+01 -0.262404D+02  0.126614D+02
               331           332           333           334           335 
      1  -0.143852D+01  0.499657D+01 -0.717259D+01 -0.309342D+01 -0.527138D+01
      2   0.218117D+01 -0.493877D+01  0.919867D+01 -0.934114D+01 -0.886130D+00
      3  -0.742654D+00 -0.577939D-01 -0.202608D+01  0.124346D+02  0.615751D+01
      4  -0.383234D+01  0.472987D+01 -0.481797D+01  0.629160D+01  0.214267D+01
      5   0.398060D+01 -0.333410D+01  0.261116D+01 -0.146216D+02 -0.336745D+01
      6  -0.366778D+01  0.159634D+02 -0.686848D+01 -0.815895D+01 -0.667533D+01
               336           337           338           339           340 
      1   0.170206D+02 -0.158082D+01 -0.242202D+01  0.475514D-01  0.960333D+01
      2   0.103549D+02  0.825880D+00  0.174709D-01 -0.285456D+01  0.500834D+01
      3  -0.273755D+02  0.754939D+00  0.240454D+01  0.280701D+01 -0.146117D+02
      4  -0.323236D+01  0.215533D+01  0.205356D+01 -0.136278D+01 -0.131467D+01
      5   0.120902D+02 -0.252973D+01 -0.271495D+01  0.290668D+01  0.841001D+01
      6   0.122866D+02 -0.395202D+01 -0.364969D+01  0.417865D+01  0.466803D+01
               341           342           343           344           345 
      1   0.164475D+01 -0.144980D+02 -0.706832D+00  0.170424D+01  0.472598D+01
      2   0.470759D+00 -0.103097D+02  0.170078D+00  0.105699D+01  0.345530D+01
      3  -0.211551D+01  0.248077D+02  0.536754D+00 -0.276123D+01 -0.818129D+01
      4  -0.181398D+01  0.256318D+01  0.235800D+01  0.180909D+01  0.191483D+01
      5   0.235898D+01 -0.120027D+02  0.101866D+01  0.298930D+01  0.147848D+01
      6   0.420372D+01 -0.607133D+01  0.330793D+01  0.102855D+01 -0.619184D+00
               346           347           348           349           350 
      1  -0.797360D+00 -0.160058D+02 -0.194865D+02  0.597760D+00 -0.123185D+02
      2  -0.308940D+01  0.806719D+00 -0.575698D+01 -0.208427D+00 -0.170190D+01
      3   0.388676D+01  0.151991D+02  0.252435D+02 -0.389333D+00  0.140204D+02
      4   0.440912D+01  0.965715D+01  0.965214D+01  0.285684D+01  0.384907D+01
      5   0.753541D+01  0.109396D+02  0.156858D+02  0.278975D+01  0.682606D+01
      6   0.512504D+01  0.221190D+02  0.247592D+02  0.213680D+01  0.158976D+02
               351           352           353           354           355 
      1  -0.201166D+02  0.262897D+02 -0.117292D+02 -0.536738D+00 -0.160136D+02
      2  -0.520338D+01 -0.344377D+00 -0.850082D+01  0.169334D+01 -0.129880D+02
      3   0.253200D+02 -0.259454D+02  0.202301D+02 -0.115661D+01  0.290016D+02
      4   0.555124D+01 -0.348685D+02  0.342238D+02 -0.331164D+01  0.481918D+02
      5   0.850847D+01  0.533995D+00 -0.435658D+01  0.483939D+01  0.442844D+00
      6   0.203801D+02 -0.206024D+01  0.695405D+00 -0.120070D+01 -0.445433D+00
               356           357           358           359           360 
      1   0.321279D+01  0.221703D+01  0.810295D+01 -0.296304D+01 -0.278237D+01
      2   0.330466D+02 -0.313430D+01  0.183262D+01 -0.856776D+01  0.367122D+01
      3  -0.362594D+02  0.917271D+00 -0.993557D+01  0.115308D+02 -0.888852D+00
      4  -0.630298D+02  0.171168D+01 -0.166724D+02  0.184943D+02 -0.834367D+01
      5   0.445856D+01 -0.710605D+01  0.540207D+01 -0.883497D+01  0.487315D+01
      6  -0.103059D+01  0.622523D+01 -0.328600D+01  0.819739D+01 -0.284779D+01
               361           362           363           364           365 
      1  -0.178548D+02 -0.814497D+01 -0.857482D+01 -0.737046D+01 -0.747231D+01
      2   0.112846D+02  0.443294D+01  0.454238D+01  0.195983D+01  0.966108D+01
      3   0.657021D+01  0.371203D+01  0.403243D+01  0.541064D+01 -0.218877D+01
      4   0.513678D+01  0.242254D+01 -0.125518D+01  0.965980D+01 -0.111885D+02
      5   0.123333D+01 -0.272408D+01 -0.204819D+01  0.439054D+00 -0.470536D+01
      6   0.278424D+01  0.449943D+01  0.560404D+01  0.146138D+01  0.809260D+01
               366           367           368           369           370 
      1  -0.754603D+01 -0.137285D+02 -0.135282D+02 -0.161822D+02  0.681991D+02
      2   0.563168D+01  0.861877D+01  0.698574D+01  0.258418D+01 -0.397561D+02
      3   0.191436D+01  0.510975D+01  0.654245D+01  0.135980D+02 -0.284430D+02
      4  -0.495486D+01  0.116093D+01 -0.615083D+01 -0.839504D+01 -0.347483D+02
      5  -0.469829D+01  0.445570D+01 -0.959462D+01 -0.165144D+02 -0.496737D+02
      6   0.850425D+01  0.828628D+00  0.128996D+02  0.177501D+02  0.114464D+02
               371           372           373           374           375 
      1  -0.196476D+02 -0.295623D+02 -0.271550D+02  0.124794D+02  0.138432D+02
      2   0.107560D+02  0.210152D+02  0.146701D+02 -0.508452D+01 -0.902421D+01
      3   0.889158D+01  0.854713D+01  0.124849D+02 -0.739491D+01 -0.481900D+01
      4   0.199691D+02  0.205932D+02  0.281852D+02 -0.233087D+02 -0.195462D+02
      5   0.195361D+02  0.362928D+02  0.268733D+02 -0.190306D+02 -0.196950D+02
      6  -0.633975D+01 -0.790828D+01 -0.102500D+02  0.875020D+01  0.996444D+01
               376           377           378           379           380 
      1  -0.268409D+02  0.950251D+01  0.205109D+02 -0.141389D+02  0.431822D+01
      2   0.213209D+02 -0.696953D+01 -0.197103D+02  0.547377D+01  0.115361D+01
      3   0.551999D+01 -0.253298D+01 -0.800607D+00  0.866510D+01 -0.547183D+01
      4   0.200881D+02 -0.133862D+02 -0.174837D+02  0.426435D+01 -0.326803D+01
      5   0.411939D+02 -0.159510D+02 -0.386303D+02 -0.531799D+01  0.400719D+01
      6  -0.100712D+02  0.801543D+01  0.996890D+01 -0.218549D+01  0.861739D+00
               381           382           383           384           385 
      1  -0.883494D+01  0.124610D+02 -0.727581D+01  0.109754D+02 -0.125401D+02
      2   0.152375D+01 -0.559220D+01  0.885747D+00 -0.200562D+00  0.608282D+01
      3   0.731118D+01 -0.686880D+01  0.639007D+01 -0.107748D+02  0.645732D+01
      4   0.466947D+01 -0.781303D+00  0.131796D+02 -0.106548D+02  0.413297D+01
      5  -0.687001D+00  0.355665D+01 -0.989626D+01  0.150017D+02  0.699460D+01
      6  -0.113331D+01  0.700112D+00 -0.646815D+01  0.561988D+01 -0.239265D+01
               386           387           388           389           390 
      1   0.883482D+01 -0.787895D+01  0.118154D+03  0.373922D+02 -0.124961D+02
      2  -0.226091D+00 -0.744331D+01 -0.561194D+02 -0.159756D+02  0.625466D+01
      3  -0.860873D+01  0.153223D+02 -0.620349D+02 -0.214166D+02  0.624144D+01
      4  -0.904194D+01  0.751596D+01  0.457639D+02  0.270216D+02 -0.770049D+01
      5   0.725677D+01 -0.232774D+02 -0.142614D+02 -0.697874D+01  0.129032D+02
      6   0.600075D+01 -0.453094D+01 -0.454563D+01 -0.154633D+01  0.164695D+01
               391           392           393           394           395 
      1   0.605011D+02  0.312298D+02 -0.943985D+01 -0.308525D+02 -0.131837D+02
      2  -0.255555D+02 -0.107547D+02  0.420922D+01  0.151496D+02  0.626364D+01
      3  -0.349456D+02 -0.204751D+02  0.523063D+01  0.157029D+02  0.692008D+01
      4   0.430540D+02  0.306530D+02 -0.402609D+01 -0.164225D+02 -0.750639D+01
      5  -0.111315D+02 -0.360083D+01  0.638885D+01  0.216764D+02  0.630735D+01
      6  -0.286521D+01 -0.258957D+01  0.305503D+01  0.394276D+01  0.354979D+01
               396           397           398           399           400 
      1   0.153718D+02  0.476945D+02 -0.118963D+02  0.171517D+02 -0.322695D+02
      2  -0.844783D+01 -0.248558D+02  0.583641D+01 -0.101534D+02  0.156775D+02
      3  -0.692400D+01 -0.228386D+02  0.605989D+01 -0.699831D+01  0.165920D+02
      4   0.649200D+01 -0.160387D+02  0.144359D+02 -0.102327D+02  0.297190D+02
      5  -0.101826D+02  0.222384D+02 -0.105035D+02  0.149212D+02 -0.230916D+02
      6  -0.235672D+01 -0.462120D+01  0.248997D+01 -0.271862D+01  0.588374D+01
               401           402           403           404           405 
      1   0.194490D+02 -0.167480D+02  0.346156D+02 -0.140368D+02  0.171544D+02
      2  -0.780925D+01  0.870494D+01 -0.211165D+02  0.879372D+01 -0.136841D+02
      3  -0.116397D+02  0.804310D+01 -0.134990D+02  0.524310D+01 -0.347022D+01
      4  -0.282917D+02  0.159803D+02 -0.190378D+02  0.152615D+02 -0.161683D+02
      5   0.161795D+02 -0.219957D+02  0.288066D+02 -0.162371D+02  0.318963D+02
      6  -0.636531D+01  0.618579D+01 -0.563430D+01  0.568202D+01 -0.606449D+01
               406           407           408           409           410 
      1  -0.661142D+01  0.677945D+01 -0.343658D+01  0.199003D+02 -0.820199D+01
      2   0.595558D+01 -0.449785D+01  0.220799D+01 -0.573057D+01  0.227529D+02
      3   0.655833D+00 -0.228160D+01  0.122859D+01 -0.141697D+02 -0.145509D+02
      4   0.545494D+01  0.229042D+01 -0.145206D+01  0.170888D+02  0.378999D+02
      5  -0.199796D+01 -0.145270D+01  0.124838D+01  0.211241D+01 -0.135036D+01
      6  -0.405106D+01 -0.729902D+00  0.110923D+01  0.297938D+01 -0.438869D+00
               411           412           413           414           415 
      1   0.425307D+01 -0.212123D+02  0.326887D+01 -0.177294D+01  0.232950D+02
      2  -0.532671D+01  0.784752D+01 -0.893383D+01  0.334497D+01 -0.161560D+02
      3   0.107364D+01  0.133648D+02  0.566496D+01 -0.157203D+01 -0.713896D+01
      4  -0.300181D+01 -0.377791D+01 -0.128899D+02  0.973651D+01  0.164995D+02
      5   0.906071D+01  0.318583D+01  0.102689D+02 -0.322016D+01  0.266797D+02
      6   0.514705D+01  0.184483D+01  0.374504D+01 -0.153952D+01  0.886663D+01
               416           417           418           419           420 
      1   0.625588D+01  0.124557D+02  0.766462D+01  0.287938D+01  0.293815D+01
      2  -0.343170D+01 -0.901263D+01 -0.252093D+01  0.402363D+00 -0.194203D+01
      3  -0.282419D+01 -0.344305D+01 -0.514369D+01 -0.328174D+01 -0.996112D+00
      4   0.132961D+02  0.145323D+02  0.192534D+02  0.213303D+02  0.163179D+02
      5   0.145458D+02  0.240903D+02  0.156871D+02  0.173598D+02  0.168359D+02
      6   0.587543D+01  0.736429D+01  0.919743D+01  0.105932D+02  0.124266D+02
               421           422           423 
      1   0.225765D+02  0.512751D+01  0.494821D+01
      2  -0.183121D+02 -0.629915D+01 -0.157847D+02
      3  -0.426441D+01  0.117165D+01  0.108365D+02
      4   0.250664D+02  0.210716D+02  0.280091D+02
      5   0.400339D+02  0.290791D+02  0.529602D+02
      6   0.160833D+02  0.165789D+02  0.216678D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 16:04:49 2021, MaxMem= 10737418240 cpu:          830517.7 elap:           51968.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.66353-101.66259 -10.32081 -10.32009 -10.31587
 Alpha  occ. eigenvalues --  -10.31555 -10.31512 -10.31388 -10.31329 -10.31290
 Alpha  occ. eigenvalues --  -10.31053 -10.30984 -10.30800 -10.30635 -10.30502
 Alpha  occ. eigenvalues --  -10.30470 -10.29726 -10.29593 -10.29280 -10.29253
 Alpha  occ. eigenvalues --  -10.29161 -10.28912  -9.53446  -9.53354  -7.27705
 Alpha  occ. eigenvalues --   -7.27616  -7.27480  -7.27400  -7.27387  -7.27306
 Alpha  occ. eigenvalues --   -2.22244  -1.36458  -1.36382  -1.36347  -1.01213
 Alpha  occ. eigenvalues --   -0.99988  -0.92870  -0.92172  -0.91140  -0.87050
 Alpha  occ. eigenvalues --   -0.85954  -0.85566  -0.85415  -0.82833  -0.82083
 Alpha  occ. eigenvalues --   -0.81037  -0.77991  -0.74068  -0.73202  -0.72065
 Alpha  occ. eigenvalues --   -0.68315  -0.68167  -0.64976  -0.64748  -0.60896
 Alpha  occ. eigenvalues --   -0.60478  -0.59959  -0.57337  -0.55685  -0.55204
 Alpha  occ. eigenvalues --   -0.54963  -0.53766  -0.53444  -0.53288  -0.52448
 Alpha  occ. eigenvalues --   -0.52330  -0.50038  -0.49695  -0.48731  -0.48131
 Alpha  occ. eigenvalues --   -0.48001  -0.47083  -0.46978  -0.46262  -0.45684
 Alpha  occ. eigenvalues --   -0.44976  -0.44591  -0.44247  -0.44078  -0.42117
 Alpha  occ. eigenvalues --   -0.41809  -0.40992  -0.40865  -0.40673  -0.40391
 Alpha  occ. eigenvalues --   -0.40007  -0.39626  -0.38942  -0.38172  -0.37610
 Alpha  occ. eigenvalues --   -0.36547  -0.32962  -0.31852  -0.31340  -0.30302
 Alpha virt. eigenvalues --    0.00114   0.01914   0.02442   0.02664   0.02861
 Alpha virt. eigenvalues --    0.04120   0.04289   0.04534   0.04632   0.04685
 Alpha virt. eigenvalues --    0.04820   0.05027   0.05949   0.06030   0.06264
 Alpha virt. eigenvalues --    0.06315   0.06800   0.06838   0.07022   0.07109
 Alpha virt. eigenvalues --    0.07556   0.07701   0.07711   0.08032   0.08199
 Alpha virt. eigenvalues --    0.08316   0.08438   0.08753   0.09132   0.09311
 Alpha virt. eigenvalues --    0.10255   0.10384   0.10577   0.10788   0.10814
 Alpha virt. eigenvalues --    0.11221   0.11419   0.11542   0.11990   0.12058
 Alpha virt. eigenvalues --    0.12459   0.12546   0.12875   0.13221   0.13276
 Alpha virt. eigenvalues --    0.13827   0.13971   0.14316   0.14740   0.14920
 Alpha virt. eigenvalues --    0.15099   0.15204   0.15293   0.15566   0.15816
 Alpha virt. eigenvalues --    0.16080   0.16224   0.16384   0.16621   0.16904
 Alpha virt. eigenvalues --    0.17017   0.17323   0.17434   0.17608   0.17873
 Alpha virt. eigenvalues --    0.17929   0.18155   0.18259   0.18362   0.18788
 Alpha virt. eigenvalues --    0.18932   0.19139   0.19217   0.19379   0.19823
 Alpha virt. eigenvalues --    0.20360   0.20586   0.20924   0.21110   0.21400
 Alpha virt. eigenvalues --    0.21465   0.21805   0.22076   0.22133   0.22552
 Alpha virt. eigenvalues --    0.22619   0.22880   0.23205   0.23422   0.23568
 Alpha virt. eigenvalues --    0.23911   0.24180   0.24249   0.24330   0.24727
 Alpha virt. eigenvalues --    0.24768   0.24904   0.24947   0.25242   0.25770
 Alpha virt. eigenvalues --    0.25850   0.26049   0.26315   0.26733   0.27104
 Alpha virt. eigenvalues --    0.27196   0.27277   0.27646   0.27813   0.28002
 Alpha virt. eigenvalues --    0.28454   0.28513   0.28691   0.28914   0.28938
 Alpha virt. eigenvalues --    0.29212   0.29348   0.29754   0.29933   0.30109
 Alpha virt. eigenvalues --    0.30327   0.30560   0.30671   0.30968   0.31098
 Alpha virt. eigenvalues --    0.31208   0.31424   0.31638   0.31993   0.32166
 Alpha virt. eigenvalues --    0.32251   0.32464   0.32797   0.32986   0.33244
 Alpha virt. eigenvalues --    0.33553   0.33905   0.34073   0.34270   0.34476
 Alpha virt. eigenvalues --    0.34771   0.35000   0.35271   0.35626   0.35816
 Alpha virt. eigenvalues --    0.35968   0.36379   0.36546   0.36804   0.36878
 Alpha virt. eigenvalues --    0.37342   0.37735   0.38352   0.38450   0.39079
 Alpha virt. eigenvalues --    0.39309   0.39374   0.39563   0.39709   0.40109
 Alpha virt. eigenvalues --    0.40462   0.41094   0.41259   0.41346   0.41577
 Alpha virt. eigenvalues --    0.42116   0.42278   0.42401   0.42935   0.43195
 Alpha virt. eigenvalues --    0.43319   0.43452   0.43896   0.44212   0.44496
 Alpha virt. eigenvalues --    0.44803   0.45127   0.45190   0.45659   0.45953
 Alpha virt. eigenvalues --    0.46208   0.46509   0.46807   0.47021   0.47604
 Alpha virt. eigenvalues --    0.47723   0.47871   0.48526   0.48635   0.48943
 Alpha virt. eigenvalues --    0.49034   0.49141   0.49529   0.49737   0.49943
 Alpha virt. eigenvalues --    0.50158   0.50223   0.51262   0.51495   0.51715
 Alpha virt. eigenvalues --    0.52120   0.52711   0.52923   0.53112   0.53332
 Alpha virt. eigenvalues --    0.53592   0.53936   0.54286   0.54413   0.55050
 Alpha virt. eigenvalues --    0.55289   0.55333   0.55656   0.56408   0.56581
 Alpha virt. eigenvalues --    0.57112   0.57559   0.57767   0.58263   0.58599
 Alpha virt. eigenvalues --    0.58944   0.59363   0.59458   0.59470   0.60080
 Alpha virt. eigenvalues --    0.60306   0.61208   0.61541   0.61789   0.62320
 Alpha virt. eigenvalues --    0.62580   0.62912   0.62962   0.63110   0.63495
 Alpha virt. eigenvalues --    0.63625   0.63828   0.64115   0.64326   0.64490
 Alpha virt. eigenvalues --    0.64758   0.65187   0.65535   0.65792   0.66162
 Alpha virt. eigenvalues --    0.66466   0.66647   0.66836   0.66965   0.67514
 Alpha virt. eigenvalues --    0.67797   0.68043   0.68159   0.68417   0.68610
 Alpha virt. eigenvalues --    0.68901   0.69018   0.69271   0.69491   0.69656
 Alpha virt. eigenvalues --    0.70069   0.70372   0.70577   0.70818   0.71292
 Alpha virt. eigenvalues --    0.71507   0.71721   0.72221   0.72681   0.73032
 Alpha virt. eigenvalues --    0.73365   0.73576   0.73790   0.74121   0.74386
 Alpha virt. eigenvalues --    0.74744   0.74814   0.75116   0.75286   0.75816
 Alpha virt. eigenvalues --    0.76319   0.76323   0.76572   0.76647   0.77177
 Alpha virt. eigenvalues --    0.78039   0.78141   0.78317   0.78720   0.78959
 Alpha virt. eigenvalues --    0.79438   0.79590   0.79996   0.80149   0.80667
 Alpha virt. eigenvalues --    0.80958   0.81028   0.81391   0.81653   0.81843
 Alpha virt. eigenvalues --    0.82243   0.82420   0.82941   0.83210   0.83556
 Alpha virt. eigenvalues --    0.84091   0.84182   0.84480   0.84978   0.85319
 Alpha virt. eigenvalues --    0.85947   0.86046   0.86579   0.86775   0.87084
 Alpha virt. eigenvalues --    0.87377   0.88114   0.88578   0.88736   0.88958
 Alpha virt. eigenvalues --    0.89270   0.89411   0.89854   0.90530   0.90628
 Alpha virt. eigenvalues --    0.90919   0.91376   0.91666   0.91958   0.92373
 Alpha virt. eigenvalues --    0.92946   0.93133   0.93477   0.94082   0.94568
 Alpha virt. eigenvalues --    0.95107   0.95432   0.95583   0.96196   0.96784
 Alpha virt. eigenvalues --    0.96829   0.97505   0.97698   0.98427   0.98844
 Alpha virt. eigenvalues --    0.99260   0.99414   0.99695   1.00251   1.00846
 Alpha virt. eigenvalues --    1.01374   1.01540   1.01777   1.02656   1.02864
 Alpha virt. eigenvalues --    1.02990   1.03628   1.04459   1.04976   1.05097
 Alpha virt. eigenvalues --    1.05503   1.05777   1.06150   1.07069   1.07626
 Alpha virt. eigenvalues --    1.08082   1.08537   1.09689   1.09778   1.09954
 Alpha virt. eigenvalues --    1.10485   1.11124   1.11326   1.11478   1.11927
 Alpha virt. eigenvalues --    1.12794   1.13479   1.13678   1.14789   1.15105
 Alpha virt. eigenvalues --    1.15780   1.16388   1.17115   1.17681   1.18275
 Alpha virt. eigenvalues --    1.18411   1.19294   1.19621   1.20298   1.21565
 Alpha virt. eigenvalues --    1.22411   1.22667   1.22830   1.23835   1.24451
 Alpha virt. eigenvalues --    1.25020   1.25748   1.25990   1.27037   1.27640
 Alpha virt. eigenvalues --    1.28175   1.28825   1.29325   1.29769   1.30439
 Alpha virt. eigenvalues --    1.31512   1.32180   1.33083   1.33171   1.33771
 Alpha virt. eigenvalues --    1.34966   1.35166   1.35332   1.35966   1.36512
 Alpha virt. eigenvalues --    1.37484   1.37853   1.38771   1.39275   1.40113
 Alpha virt. eigenvalues --    1.40541   1.41665   1.42178   1.43203   1.43686
 Alpha virt. eigenvalues --    1.44272   1.44408   1.45429   1.46289   1.46560
 Alpha virt. eigenvalues --    1.46942   1.47900   1.48091   1.48207   1.49445
 Alpha virt. eigenvalues --    1.50355   1.50867   1.51246   1.51609   1.52176
 Alpha virt. eigenvalues --    1.52609   1.53449   1.54149   1.54429   1.54912
 Alpha virt. eigenvalues --    1.54926   1.56144   1.56467   1.56890   1.57018
 Alpha virt. eigenvalues --    1.57491   1.57989   1.58294   1.59291   1.59890
 Alpha virt. eigenvalues --    1.60690   1.60750   1.62246   1.62347   1.62826
 Alpha virt. eigenvalues --    1.63388   1.63671   1.64449   1.65446   1.66209
 Alpha virt. eigenvalues --    1.67054   1.67293   1.67897   1.68536   1.69076
 Alpha virt. eigenvalues --    1.70181   1.70748   1.70960   1.71354   1.71751
 Alpha virt. eigenvalues --    1.72756   1.73205   1.74398   1.74671   1.75218
 Alpha virt. eigenvalues --    1.75610   1.76076   1.76599   1.77220   1.77504
 Alpha virt. eigenvalues --    1.77834   1.77866   1.78336   1.79337   1.79574
 Alpha virt. eigenvalues --    1.80394   1.80525   1.81357   1.81566   1.82224
 Alpha virt. eigenvalues --    1.83106   1.83832   1.84240   1.84998   1.85705
 Alpha virt. eigenvalues --    1.85862   1.86623   1.87672   1.88110   1.88405
 Alpha virt. eigenvalues --    1.88910   1.89246   1.90788   1.91274   1.91484
 Alpha virt. eigenvalues --    1.93288   1.93675   1.94283   1.94762   1.95252
 Alpha virt. eigenvalues --    1.95915   1.96071   1.96768   1.96980   1.97733
 Alpha virt. eigenvalues --    1.98756   1.99365   1.99857   2.00452   2.00788
 Alpha virt. eigenvalues --    2.01497   2.02046   2.02467   2.03047   2.03641
 Alpha virt. eigenvalues --    2.03735   2.05008   2.05222   2.05729   2.06152
 Alpha virt. eigenvalues --    2.06362   2.06761   2.07377   2.07673   2.07953
 Alpha virt. eigenvalues --    2.08461   2.08898   2.09521   2.09750   2.10641
 Alpha virt. eigenvalues --    2.10913   2.11191   2.12362   2.12493   2.13208
 Alpha virt. eigenvalues --    2.13834   2.14271   2.14827   2.15354   2.16396
 Alpha virt. eigenvalues --    2.17182   2.17333   2.18045   2.18495   2.19039
 Alpha virt. eigenvalues --    2.19824   2.20502   2.21208   2.21939   2.22065
 Alpha virt. eigenvalues --    2.22523   2.23550   2.24433   2.24892   2.25549
 Alpha virt. eigenvalues --    2.25639   2.26387   2.27391   2.27656   2.27950
 Alpha virt. eigenvalues --    2.29166   2.30248   2.30789   2.31094   2.31791
 Alpha virt. eigenvalues --    2.32618   2.33165   2.34275   2.35167   2.35851
 Alpha virt. eigenvalues --    2.36749   2.37253   2.37856   2.38703   2.39646
 Alpha virt. eigenvalues --    2.39689   2.40588   2.41088   2.41846   2.42998
 Alpha virt. eigenvalues --    2.43925   2.44709   2.45175   2.45996   2.46218
 Alpha virt. eigenvalues --    2.47574   2.47715   2.49008   2.49935   2.50466
 Alpha virt. eigenvalues --    2.51581   2.52502   2.53942   2.54328   2.55140
 Alpha virt. eigenvalues --    2.55821   2.56276   2.56924   2.57890   2.58913
 Alpha virt. eigenvalues --    2.59812   2.60543   2.62368   2.62797   2.63433
 Alpha virt. eigenvalues --    2.64256   2.66319   2.66926   2.67046   2.67722
 Alpha virt. eigenvalues --    2.68571   2.69391   2.71385   2.71842   2.73602
 Alpha virt. eigenvalues --    2.74537   2.76352   2.76599   2.76709   2.78646
 Alpha virt. eigenvalues --    2.79507   2.80149   2.81929   2.83010   2.83547
 Alpha virt. eigenvalues --    2.84073   2.85241   2.85559   2.86600   2.86764
 Alpha virt. eigenvalues --    2.89009   2.92028   2.92729   2.94446   2.95198
 Alpha virt. eigenvalues --    2.96489   2.98703   2.99481   2.99760   3.00468
 Alpha virt. eigenvalues --    3.01345   3.04517   3.05446   3.06418   3.07563
 Alpha virt. eigenvalues --    3.08201   3.09607   3.10927   3.16640   3.17634
 Alpha virt. eigenvalues --    3.34097   3.37083   3.47027   3.58403   3.62621
 Alpha virt. eigenvalues --    3.67735   3.70186   3.80227   3.98445   4.05380
 Alpha virt. eigenvalues --    4.11780   4.17191   4.35283   4.47385   4.68101
 Alpha virt. eigenvalues --    4.70798   4.92165   5.11757   5.43611   7.32644
 Alpha virt. eigenvalues --   32.07710
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.372262  -5.861524  -3.361145  -0.761004   0.040658   0.223245
     2  C   -5.861524  41.403334  -4.835020  -2.119207  -0.344390  -1.055498
     3  C   -3.361145  -4.835020  35.305842  -0.535066  -0.392676  -0.722195
     4  C   -0.761004  -2.119207  -0.535066  14.771857   0.164204   0.322989
     5  C    0.040658  -0.344390  -0.392676   0.164204   6.403570   0.479102
     6  C    0.223245  -1.055498  -0.722195   0.322989   0.479102   7.023165
     7  C    0.752964  -1.430764 -13.555133  -3.474170  -0.686035   0.189735
     8  C   -1.499005  -5.401563   1.296675  -1.415602   0.066096  -0.551071
     9  C   -2.123345 -11.297066  -7.029990  -0.425772   0.000272   0.033631
    10  C   -0.038962  -2.167562  -1.194927   0.038378  -0.061910   0.189007
    11  C   -0.161423  -1.686517   0.200932  -0.066301   0.065577  -0.288103
    12  C    0.661670  -1.013700  -0.154294   0.099844  -0.125731   0.137125
    13  C    0.155525  -0.215952   0.196945  -0.142800   0.065747  -0.007827
    14  C    0.155487   0.343649  -0.191322   0.157230  -0.081552   0.008279
    15  C   -0.007133  -0.809464   0.259188  -0.172738   0.084752  -0.024029
    16  C   -0.256875   0.928213  -0.064384   0.019468   0.023174  -0.087961
    17  C    0.043392   0.409170   0.087680  -0.021070   0.029484  -0.013145
    18  C    0.028036   0.135068  -0.060624  -0.003109  -0.000759   0.001113
    19  C    0.004439   0.010504   0.006218   0.001513   0.000407   0.000245
    20  C   -0.003961   0.012905   0.070148   0.028817  -0.007742   0.000833
    21  Zr  -0.938416  -0.573672  -0.506241  -0.866500  -0.483085  -0.076075
    22  Cl  -0.051516  -0.002505   0.083122  -0.023423   0.002617   0.003257
    23  Cl  -0.014532   0.045290  -0.037887   0.041749  -0.003393   0.002511
    24  H   -0.021145  -0.092956   0.151768   0.036874   0.001933  -0.003552
    25  H   -0.036483   0.016913   1.173973  -0.370210   0.041409  -0.010309
    26  H    0.300617   0.049161  -0.349072  -0.175557   0.036077  -0.355383
    27  H   -1.584541   0.790168   0.587935   0.122845  -0.009698   0.193849
    28  H   -0.509107   0.907719  -0.133366   0.228837  -0.007878  -0.259728
    29  H    0.583079  -0.506786  -0.000451  -0.213652  -0.020013  -0.315553
    30  H   -0.124272  -0.080580  -0.226637   0.357478  -0.167730  -0.112929
    31  H    0.165043  -0.013321   0.203657   0.047341  -0.298949   0.002405
    32  H   -0.143412   0.497331   0.207198  -0.666431  -0.071072  -0.054592
    33  H    0.052466  -0.250876   0.494910  -0.186173   0.256961   0.032243
    34  H   -0.251558   0.942569   0.433323   0.026751  -0.001750  -0.005212
    35  H    0.027976  -0.519476  -0.393131  -0.014967  -0.012174   0.009035
    36  H   -0.016773   0.097513  -0.144835  -0.024077   0.019205   0.038415
    37  H   -0.000656   0.118231   0.041765   0.001777  -0.002259  -0.012572
    38  H   -0.100342   0.007259  -0.018192   0.000876  -0.000718   0.022622
    39  H   -0.005542   0.015284  -0.000012  -0.019224   0.000787   0.003524
    40  H   -0.003265   0.064584   0.031420   0.001907   0.000624   0.000535
    41  H   -0.006317   0.051703  -0.006613  -0.001416   0.006452  -0.004605
    42  H    0.000268  -0.003645  -0.003500  -0.000303  -0.000185  -0.000082
    43  H    0.005263   0.013649   0.017776   0.006287   0.001006   0.000325
    44  H    0.000304   0.004156   0.001333   0.000270   0.000035   0.000066
    45  H   -0.000254  -0.007557   0.000815   0.000316   0.000061  -0.000107
    46  H    0.005665   0.005005   0.013855   0.012040  -0.000157   0.001207
    47  H    0.000933  -0.000370   0.005082   0.002333  -0.000363   0.000398
               7          8          9         10         11         12
     1  C    0.752964  -1.499005  -2.123345  -0.038962  -0.161423   0.661670
     2  C   -1.430764  -5.401563 -11.297066  -2.167562  -1.686517  -1.013700
     3  C  -13.555133   1.296675  -7.029990  -1.194927   0.200932  -0.154294
     4  C   -3.474170  -1.415602  -0.425772   0.038378  -0.066301   0.099844
     5  C   -0.686035   0.066096   0.000272  -0.061910   0.065577  -0.125731
     6  C    0.189735  -0.551071   0.033631   0.189007  -0.288103   0.137125
     7  C   34.732030 -10.206928   2.848496  -1.159102   0.050115  -0.138791
     8  C  -10.206928  33.452650 -11.594102   1.251107  -0.518906   0.503208
     9  C    2.848496 -11.594102  37.928321  -2.845550   2.398802  -1.951838
    10  C   -1.159102   1.251107  -2.845550  14.808617  -1.727163   2.907648
    11  C    0.050115  -0.518906   2.398802  -1.727163  14.520121  -3.517524
    12  C   -0.138791   0.503208  -1.951838   2.907648  -3.517524  46.748590
    13  C   -0.416945   1.313760  -1.365658  -0.943917  -2.739825 -14.382305
    14  C    0.386286  -0.653403  -0.020654   0.035405  -0.613837  -7.400627
    15  C   -1.110596   1.052615   0.227814   0.005546  -1.448965   2.450695
    16  C    1.078920  -1.375865   0.901020  -1.210071   2.851097 -11.107932
    17  C   -0.195078   0.029766   0.422763  -0.444994   0.240634  -6.267854
    18  C    0.039282   0.119478  -0.176953   0.034836  -0.153651  -0.683942
    19  C    0.008782  -0.016230  -0.007531   0.012106  -0.074187   0.027634
    20  C   -0.140560   0.187406  -0.192774   0.029277  -0.169381  -0.021782
    21  Zr   0.130997   1.841569  -1.148019  -1.300134  -0.553561  -1.941548
    22  Cl  -0.135933   0.060525   0.027267   0.004743   0.013744  -0.055697
    23  Cl  -0.072494   0.147009  -0.171041   0.032042  -0.030729   0.044044
    24  H    0.623619  -3.112152   1.411344  -0.061977  -0.072112   0.180181
    25  H   -2.627286   0.739227   0.157202   0.114140   0.018159  -0.042744
    26  H    0.153764  -0.224171   0.201595   0.161188  -0.344035   0.650893
    27  H   -0.169667   0.094805  -0.312047  -0.249592   0.102181  -0.335619
    28  H   -0.029143  -0.001894  -0.100786   0.026000   0.006643  -0.029346
    29  H    0.098556  -0.072822   0.191165  -0.029094  -0.000559   0.013459
    30  H   -0.056122  -0.042289   0.102107   0.012290  -0.003202   0.004366
    31  H    0.028735   0.026460  -0.027794  -0.004313   0.000969   0.002235
    32  H    0.010522  -0.128644   0.220177   0.017889  -0.009321   0.001259
    33  H   -0.035088  -0.143921  -0.099081  -0.027595   0.015775  -0.003020
    34  H   -0.259961  -0.030214  -0.087970  -0.989585  -0.486994   0.225967
    35  H    0.209972   0.505167  -0.687502   0.062068   0.402360  -0.242128
    36  H   -0.043606   0.156353  -0.325690   0.544781  -0.515813   0.050657
    37  H    0.021694  -0.106830   0.315738  -0.525451  -0.669605  -0.648551
    38  H    0.072873   0.003182   0.224576  -0.106534  -0.271334   1.225670
    39  H   -0.045877   0.039680  -0.054512   0.035890   0.047359   0.176576
    40  H   -0.036880  -0.053706   0.061148   0.001028  -0.238122  -0.104298
    41  H    0.139708   0.010187   0.045577  -0.293880   0.130919   0.155397
    42  H   -0.004160   0.031006  -0.052307   0.025846   0.020930  -0.084493
    43  H    0.013100  -0.106855   0.092347  -0.035687  -0.010025   0.024903
    44  H   -0.001547   0.000005   0.000238  -0.002715  -0.004848   0.044845
    45  H    0.004037  -0.009934   0.006139   0.000465  -0.005470   0.025347
    46  H   -0.028226   0.005270  -0.025118   0.018290  -0.036509  -0.099074
    47  H   -0.011541   0.011496  -0.006846   0.002345   0.009208   0.075003
              13         14         15         16         17         18
     1  C    0.155525   0.155487  -0.007133  -0.256875   0.043392   0.028036
     2  C   -0.215952   0.343649  -0.809464   0.928213   0.409170   0.135068
     3  C    0.196945  -0.191322   0.259188  -0.064384   0.087680  -0.060624
     4  C   -0.142800   0.157230  -0.172738   0.019468  -0.021070  -0.003109
     5  C    0.065747  -0.081552   0.084752   0.023174   0.029484  -0.000759
     6  C   -0.007827   0.008279  -0.024029  -0.087961  -0.013145   0.001113
     7  C   -0.416945   0.386286  -1.110596   1.078920  -0.195078   0.039282
     8  C    1.313760  -0.653403   1.052615  -1.375865   0.029766   0.119478
     9  C   -1.365658  -0.020654   0.227814   0.901020   0.422763  -0.176953
    10  C   -0.943917   0.035405   0.005546  -1.210071  -0.444994   0.034836
    11  C   -2.739825  -0.613837  -1.448965   2.851097   0.240634  -0.153651
    12  C  -14.382305  -7.400627   2.450695 -11.107932  -6.267854  -0.683942
    13  C   47.229714  -6.447910  -0.391241  -9.261090  -4.525815  -1.064359
    14  C   -6.447910  38.263134 -16.310113   2.797517  -2.326655  -0.206162
    15  C   -0.391241 -16.310113  37.548917 -11.798623   2.011923  -0.543951
    16  C   -9.261090   2.797517 -11.798623  36.436181  -2.810186  -0.129443
    17  C   -4.525815  -2.326655   2.011923  -2.810186  20.665757   0.421605
    18  C   -1.064359  -0.206162  -0.543951  -0.129443   0.421605   7.076412
    19  C   -0.217155  -1.209271  -0.187880  -0.607020  -0.139524   0.699608
    20  C   -1.673604  -1.179859  -3.711062  -1.248291  -0.898869   0.359605
    21  Zr  -0.248697  -1.171962   0.962618   2.844727  -0.644951  -0.639579
    22  Cl   0.062103  -0.043208  -0.087950   0.059949  -0.015634   0.003388
    23  Cl  -0.216309   0.256650  -0.171492   0.022000  -0.046480   0.062687
    24  H    0.038238  -0.049976   0.067790   0.030552  -0.102865  -0.014845
    25  H    0.002120  -0.003713  -0.041241   0.044750  -0.008273  -0.005933
    26  H   -0.001414   0.172070   0.047984  -0.526824  -0.002958   0.010278
    27  H    0.077932   0.007448  -0.010133   0.107937  -0.002604   0.002566
    28  H   -0.011769  -0.002187   0.003757   0.009897  -0.001954  -0.000086
    29  H   -0.001314   0.005134  -0.005265  -0.004157  -0.001519   0.000036
    30  H   -0.008161  -0.005333   0.013269  -0.037983   0.003050   0.000132
    31  H    0.007249  -0.000048   0.002659  -0.002755   0.001207   0.000014
    32  H   -0.011978   0.008118  -0.008750   0.002888  -0.001648  -0.000072
    33  H    0.010152   0.017004  -0.028358  -0.009989   0.007601  -0.000877
    34  H    0.074104   0.063291  -0.004854  -0.059576  -0.003411  -0.007741
    35  H    0.326429  -0.135381   0.002516   0.013478  -0.227533   0.002547
    36  H   -0.651248  -0.368764   0.297730   0.218334  -0.020765  -0.041043
    37  H    0.964661   0.440913  -0.358764   0.191622  -0.207843   0.051975
    38  H    0.466904  -0.154066   0.731688  -3.114942   0.072014  -0.005820
    39  H   -0.408993   1.845385  -3.287157   0.900658  -0.077777   0.010787
    40  H   -0.567217   0.531227  -0.027504   0.072607   0.122013  -0.074056
    41  H    1.195457  -0.410385   0.044848  -0.137415  -1.077017   0.272981
    42  H    0.931913   0.024747  -0.070314   0.030052  -0.253034  -0.525294
    43  H   -0.764128  -0.133776   0.015221  -0.078478   0.534329  -0.122910
    44  H   -0.173700   0.495980   0.048622  -0.017682   0.196759   0.159508
    45  H   -0.002100  -0.207439  -0.029936  -0.079314  -0.068139  -0.177822
    46  H   -0.362869  -0.170419  -0.114371  -0.141579  -0.164676  -0.005452
    47  H    0.574309   0.638273   0.018881  -0.084111   0.019028   0.008614
              19         20         21         22         23         24
     1  C    0.004439  -0.003961  -0.938416  -0.051516  -0.014532  -0.021145
     2  C    0.010504   0.012905  -0.573672  -0.002505   0.045290  -0.092956
     3  C    0.006218   0.070148  -0.506241   0.083122  -0.037887   0.151768
     4  C    0.001513   0.028817  -0.866500  -0.023423   0.041749   0.036874
     5  C    0.000407  -0.007742  -0.483085   0.002617  -0.003393   0.001933
     6  C    0.000245   0.000833  -0.076075   0.003257   0.002511  -0.003552
     7  C    0.008782  -0.140560   0.130997  -0.135933  -0.072494   0.623619
     8  C   -0.016230   0.187406   1.841569   0.060525   0.147009  -3.112152
     9  C   -0.007531  -0.192774  -1.148019   0.027267  -0.171041   1.411344
    10  C    0.012106   0.029277  -1.300134   0.004743   0.032042  -0.061977
    11  C   -0.074187  -0.169381  -0.553561   0.013744  -0.030729  -0.072112
    12  C    0.027634  -0.021782  -1.941548  -0.055697   0.044044   0.180181
    13  C   -0.217155  -1.673604  -0.248697   0.062103  -0.216309   0.038238
    14  C   -1.209271  -1.179859  -1.171962  -0.043208   0.256650  -0.049976
    15  C   -0.187880  -3.711062   0.962618  -0.087950  -0.171492   0.067790
    16  C   -0.607020  -1.248291   2.844727   0.059949   0.022000   0.030552
    17  C   -0.139524  -0.898869  -0.644951  -0.015634  -0.046480  -0.102865
    18  C    0.699608   0.359605  -0.639579   0.003388   0.062687  -0.014845
    19  C    6.518065   0.990208  -0.474737   0.004924   0.046944  -0.006326
    20  C    0.990208  14.028674  -1.131607  -0.006437   0.050792  -0.030405
    21  Zr  -0.474737  -1.131607  18.459006   0.196559   0.095097  -0.148873
    22  Cl   0.004924  -0.006437   0.196559  17.397685  -0.115881   0.006769
    23  Cl   0.046944   0.050792   0.095097  -0.115881  17.424027  -0.017556
    24  H   -0.006326  -0.030405  -0.148873   0.006769  -0.017556   3.330072
    25  H   -0.001832  -0.020109  -0.060466   0.008346  -0.006143  -0.016465
    26  H    0.005756   0.045825  -0.411458   0.005143   0.001661  -0.006923
    27  H    0.000933   0.001757   0.229764  -0.004602   0.000410   0.012319
    28  H   -0.000102  -0.000839   0.004756  -0.003340   0.000147   0.001847
    29  H    0.000039   0.000815   0.008306   0.000417   0.000529   0.000422
    30  H    0.000118  -0.002087   0.054528  -0.014262  -0.000229   0.003345
    31  H    0.000094   0.000300  -0.019756   0.011085  -0.000120  -0.000800
    32  H    0.000391   0.000558   0.064548  -0.012819  -0.001276   0.010672
    33  H    0.000751   0.003052  -0.197384  -0.011263   0.000049  -0.006486
    34  H   -0.002710   0.001603   0.163205   0.000201  -0.000181   0.046531
    35  H    0.012596  -0.001734   0.038451   0.000380   0.005042  -0.122937
    36  H   -0.009224  -0.029963   0.147420   0.003207  -0.002892  -0.010670
    37  H   -0.005515   0.032535   0.102084  -0.000847   0.000153   0.001413
    38  H   -0.014553  -0.066788  -0.233231  -0.019229   0.007472   0.007408
    39  H    0.016543   0.005274  -0.108627   0.020282   0.002352  -0.001780
    40  H   -0.059072  -0.087540   0.210665  -0.000384  -0.003092   0.009195
    41  H    0.001444   0.064178  -0.362111  -0.001988   0.005695  -0.039011
    42  H   -0.027984   0.077105   0.055137   0.000302  -0.004417   0.002382
    43  H   -0.007179   0.044016  -0.066200  -0.001315   0.023146  -0.001620
    44  H   -0.453932  -0.181311  -0.060110  -0.000200  -0.000870  -0.000099
    45  H   -0.068974   0.277590   0.052185   0.000648   0.002524  -0.004569
    46  H    0.172944   0.951563  -0.248899  -0.001204   0.012378  -0.011587
    47  H    0.006543  -1.442726   0.079650  -0.000884  -0.008093   0.002024
              25         26         27         28         29         30
     1  C   -0.036483   0.300617  -1.584541  -0.509107   0.583079  -0.124272
     2  C    0.016913   0.049161   0.790168   0.907719  -0.506786  -0.080580
     3  C    1.173973  -0.349072   0.587935  -0.133366  -0.000451  -0.226637
     4  C   -0.370210  -0.175557   0.122845   0.228837  -0.213652   0.357478
     5  C    0.041409   0.036077  -0.009698  -0.007878  -0.020013  -0.167730
     6  C   -0.010309  -0.355383   0.193849  -0.259728  -0.315553  -0.112929
     7  C   -2.627286   0.153764  -0.169667  -0.029143   0.098556  -0.056122
     8  C    0.739227  -0.224171   0.094805  -0.001894  -0.072822  -0.042289
     9  C    0.157202   0.201595  -0.312047  -0.100786   0.191165   0.102107
    10  C    0.114140   0.161188  -0.249592   0.026000  -0.029094   0.012290
    11  C    0.018159  -0.344035   0.102181   0.006643  -0.000559  -0.003202
    12  C   -0.042744   0.650893  -0.335619  -0.029346   0.013459   0.004366
    13  C    0.002120  -0.001414   0.077932  -0.011769  -0.001314  -0.008161
    14  C   -0.003713   0.172070   0.007448  -0.002187   0.005134  -0.005333
    15  C   -0.041241   0.047984  -0.010133   0.003757  -0.005265   0.013269
    16  C    0.044750  -0.526824   0.107937   0.009897  -0.004157  -0.037983
    17  C   -0.008273  -0.002958  -0.002604  -0.001954  -0.001519   0.003050
    18  C   -0.005933   0.010278   0.002566  -0.000086   0.000036   0.000132
    19  C   -0.001832   0.005756   0.000933  -0.000102   0.000039   0.000118
    20  C   -0.020109   0.045825   0.001757  -0.000839   0.000815  -0.002087
    21  Zr  -0.060466  -0.411458   0.229764   0.004756   0.008306   0.054528
    22  Cl   0.008346   0.005143  -0.004602  -0.003340   0.000417  -0.014262
    23  Cl  -0.006143   0.001661   0.000410   0.000147   0.000529  -0.000229
    24  H   -0.016465  -0.006923   0.012319   0.001847   0.000422   0.003345
    25  H    2.864362   0.002811  -0.013380  -0.001484   0.006163   0.003517
    26  H    0.002811   2.801464  -0.712248  -0.296435   0.235374   0.029808
    27  H   -0.013380  -0.712248   2.566088   0.051115  -0.225907  -0.009056
    28  H   -0.001484  -0.296435   0.051115   2.053557  -0.514416  -0.059938
    29  H    0.006163   0.235374  -0.225907  -0.514416   2.161295   0.122392
    30  H    0.003517   0.029808  -0.009056  -0.059938   0.122392   2.260325
    31  H    0.001312   0.021395   0.020891  -0.091249  -0.092468  -0.510659
    32  H    0.030952  -0.025446   0.017422   0.021966  -0.007763   0.154576
    33  H   -0.027950   0.017356  -0.008419   0.017651   0.000100  -0.250340
    34  H   -0.008024   0.011450   0.038459  -0.000012   0.001159   0.001063
    35  H    0.012020  -0.011324  -0.003490   0.000942  -0.003201   0.000050
    36  H    0.005875  -0.057686  -0.054769  -0.003341   0.008743   0.002328
    37  H   -0.000385   0.000790   0.028749   0.000624  -0.001431  -0.000945
    38  H   -0.003509  -0.020929   0.028677   0.006362  -0.008629  -0.001874
    39  H    0.006062   0.009288  -0.002666  -0.000943   0.000698  -0.001690
    40  H   -0.001664  -0.002542   0.000179   0.000000  -0.000011   0.000475
    41  H    0.004858   0.004994   0.000102  -0.000526  -0.000268  -0.001330
    42  H   -0.001871   0.000166   0.000070   0.000004  -0.000022  -0.000004
    43  H    0.000876   0.001029   0.000860   0.000018  -0.000006   0.000424
    44  H   -0.000057   0.000218   0.000043  -0.000004   0.000002   0.000058
    45  H    0.000290   0.000814   0.000056  -0.000025   0.000006  -0.000081
    46  H   -0.004829   0.009395   0.000426  -0.000153   0.000314   0.000135
    47  H   -0.000615  -0.000668   0.000092   0.000009   0.000025   0.000158
              31         32         33         34         35         36
     1  C    0.165043  -0.143412   0.052466  -0.251558   0.027976  -0.016773
     2  C   -0.013321   0.497331  -0.250876   0.942569  -0.519476   0.097513
     3  C    0.203657   0.207198   0.494910   0.433323  -0.393131  -0.144835
     4  C    0.047341  -0.666431  -0.186173   0.026751  -0.014967  -0.024077
     5  C   -0.298949  -0.071072   0.256961  -0.001750  -0.012174   0.019205
     6  C    0.002405  -0.054592   0.032243  -0.005212   0.009035   0.038415
     7  C    0.028735   0.010522  -0.035088  -0.259961   0.209972  -0.043606
     8  C    0.026460  -0.128644  -0.143921  -0.030214   0.505167   0.156353
     9  C   -0.027794   0.220177  -0.099081  -0.087970  -0.687502  -0.325690
    10  C   -0.004313   0.017889  -0.027595  -0.989585   0.062068   0.544781
    11  C    0.000969  -0.009321   0.015775  -0.486994   0.402360  -0.515813
    12  C    0.002235   0.001259  -0.003020   0.225967  -0.242128   0.050657
    13  C    0.007249  -0.011978   0.010152   0.074104   0.326429  -0.651248
    14  C   -0.000048   0.008118   0.017004   0.063291  -0.135381  -0.368764
    15  C    0.002659  -0.008750  -0.028358  -0.004854   0.002516   0.297730
    16  C   -0.002755   0.002888  -0.009989  -0.059576   0.013478   0.218334
    17  C    0.001207  -0.001648   0.007601  -0.003411  -0.227533  -0.020765
    18  C    0.000014  -0.000072  -0.000877  -0.007741   0.002547  -0.041043
    19  C    0.000094   0.000391   0.000751  -0.002710   0.012596  -0.009224
    20  C    0.000300   0.000558   0.003052   0.001603  -0.001734  -0.029963
    21  Zr  -0.019756   0.064548  -0.197384   0.163205   0.038451   0.147420
    22  Cl   0.011085  -0.012819  -0.011263   0.000201   0.000380   0.003207
    23  Cl  -0.000120  -0.001276   0.000049  -0.000181   0.005042  -0.002892
    24  H   -0.000800   0.010672  -0.006486   0.046531  -0.122937  -0.010670
    25  H    0.001312   0.030952  -0.027950  -0.008024   0.012020   0.005875
    26  H    0.021395  -0.025446   0.017356   0.011450  -0.011324  -0.057686
    27  H    0.020891   0.017422  -0.008419   0.038459  -0.003490  -0.054769
    28  H   -0.091249   0.021966   0.017651  -0.000012   0.000942  -0.003341
    29  H   -0.092468  -0.007763   0.000100   0.001159  -0.003201   0.008743
    30  H   -0.510659   0.154576  -0.250340   0.001063   0.000050   0.002328
    31  H    1.958642  -0.182510   0.021996  -0.000714  -0.000872  -0.002709
    32  H   -0.182510   1.922238  -0.662303   0.002528  -0.000167  -0.002440
    33  H    0.021996  -0.662303   2.205946   0.000108  -0.003868   0.000332
    34  H   -0.000714   0.002528   0.000108   2.195691  -0.663778  -0.141066
    35  H   -0.000872  -0.000167  -0.003868  -0.663778   2.882600   0.210156
    36  H   -0.002709  -0.002440   0.000332  -0.141066   0.210156   2.986559
    37  H    0.000234  -0.000091   0.000718   0.073999  -0.163015  -0.687405
    38  H    0.000080   0.001237  -0.006980   0.005038  -0.014981  -0.144207
    39  H    0.000083  -0.000506  -0.002063   0.000045   0.006398   0.014875
    40  H    0.000022   0.000100   0.000389   0.012145  -0.031502   0.002802
    41  H    0.000531  -0.002178   0.004617   0.004254   0.009784  -0.018279
    42  H   -0.000010   0.000031  -0.000093   0.001814   0.001069  -0.001025
    43  H    0.000080   0.000372   0.001193  -0.003282   0.002257  -0.003439
    44  H    0.000012   0.000042   0.000102  -0.000059  -0.003675  -0.000863
    45  H    0.000011  -0.000002   0.000192  -0.000434   0.004195  -0.000700
    46  H    0.000133   0.000136   0.001014   0.000844   0.000042  -0.003845
    47  H    0.000026   0.000105   0.000528   0.000300  -0.000289  -0.001831
              37         38         39         40         41         42
     1  C   -0.000656  -0.100342  -0.005542  -0.003265  -0.006317   0.000268
     2  C    0.118231   0.007259   0.015284   0.064584   0.051703  -0.003645
     3  C    0.041765  -0.018192  -0.000012   0.031420  -0.006613  -0.003500
     4  C    0.001777   0.000876  -0.019224   0.001907  -0.001416  -0.000303
     5  C   -0.002259  -0.000718   0.000787   0.000624   0.006452  -0.000185
     6  C   -0.012572   0.022622   0.003524   0.000535  -0.004605  -0.000082
     7  C    0.021694   0.072873  -0.045877  -0.036880   0.139708  -0.004160
     8  C   -0.106830   0.003182   0.039680  -0.053706   0.010187   0.031006
     9  C    0.315738   0.224576  -0.054512   0.061148   0.045577  -0.052307
    10  C   -0.525451  -0.106534   0.035890   0.001028  -0.293880   0.025846
    11  C   -0.669605  -0.271334   0.047359  -0.238122   0.130919   0.020930
    12  C   -0.648551   1.225670   0.176576  -0.104298   0.155397  -0.084493
    13  C    0.964661   0.466904  -0.408993  -0.567217   1.195457   0.931913
    14  C    0.440913  -0.154066   1.845385   0.531227  -0.410385   0.024747
    15  C   -0.358764   0.731688  -3.287157  -0.027504   0.044848  -0.070314
    16  C    0.191622  -3.114942   0.900658   0.072607  -0.137415   0.030052
    17  C   -0.207843   0.072014  -0.077777   0.122013  -1.077017  -0.253034
    18  C    0.051975  -0.005820   0.010787  -0.074056   0.272981  -0.525294
    19  C   -0.005515  -0.014553   0.016543  -0.059072   0.001444  -0.027984
    20  C    0.032535  -0.066788   0.005274  -0.087540   0.064178   0.077105
    21  Zr   0.102084  -0.233231  -0.108627   0.210665  -0.362111   0.055137
    22  Cl  -0.000847  -0.019229   0.020282  -0.000384  -0.001988   0.000302
    23  Cl   0.000153   0.007472   0.002352  -0.003092   0.005695  -0.004417
    24  H    0.001413   0.007408  -0.001780   0.009195  -0.039011   0.002382
    25  H   -0.000385  -0.003509   0.006062  -0.001664   0.004858  -0.001871
    26  H    0.000790  -0.020929   0.009288  -0.002542   0.004994   0.000166
    27  H    0.028749   0.028677  -0.002666   0.000179   0.000102   0.000070
    28  H    0.000624   0.006362  -0.000943   0.000000  -0.000526   0.000004
    29  H   -0.001431  -0.008629   0.000698  -0.000011  -0.000268  -0.000022
    30  H   -0.000945  -0.001874  -0.001690   0.000475  -0.001330  -0.000004
    31  H    0.000234   0.000080   0.000083   0.000022   0.000531  -0.000010
    32  H   -0.000091   0.001237  -0.000506   0.000100  -0.002178   0.000031
    33  H    0.000718  -0.006980  -0.002063   0.000389   0.004617  -0.000093
    34  H    0.073999   0.005038   0.000045   0.012145   0.004254   0.001814
    35  H   -0.163015  -0.014981   0.006398  -0.031502   0.009784   0.001069
    36  H   -0.687405  -0.144207   0.014875   0.002802  -0.018279  -0.001025
    37  H    2.276666   0.051267  -0.013440  -0.015167   0.022993   0.007861
    38  H    0.051267   3.422437  -0.028803   0.017426  -0.007730   0.002109
    39  H   -0.013440  -0.028803   2.867505  -0.008036  -0.002910  -0.001720
    40  H   -0.015167   0.017426  -0.008036   2.139433  -0.710931  -0.190272
    41  H    0.022993  -0.007730  -0.002910  -0.710931   2.523709  -0.053454
    42  H    0.007861   0.002109  -0.001720  -0.190272  -0.053454   2.133933
    43  H    0.000507  -0.000564  -0.002093   0.169065  -0.200130  -0.578103
    44  H   -0.000819  -0.000429  -0.000259   0.020696   0.029723  -0.088587
    45  H    0.002236  -0.001040   0.006040  -0.001963   0.008613  -0.104659
    46  H    0.003448  -0.014162  -0.013486  -0.025860   0.015699  -0.000129
    47  H    0.001005   0.015188   0.016040   0.021748  -0.016965   0.016401
              43         44         45         46         47
     1  C    0.005263   0.000304  -0.000254   0.005665   0.000933
     2  C    0.013649   0.004156  -0.007557   0.005005  -0.000370
     3  C    0.017776   0.001333   0.000815   0.013855   0.005082
     4  C    0.006287   0.000270   0.000316   0.012040   0.002333
     5  C    0.001006   0.000035   0.000061  -0.000157  -0.000363
     6  C    0.000325   0.000066  -0.000107   0.001207   0.000398
     7  C    0.013100  -0.001547   0.004037  -0.028226  -0.011541
     8  C   -0.106855   0.000005  -0.009934   0.005270   0.011496
     9  C    0.092347   0.000238   0.006139  -0.025118  -0.006846
    10  C   -0.035687  -0.002715   0.000465   0.018290   0.002345
    11  C   -0.010025  -0.004848  -0.005470  -0.036509   0.009208
    12  C    0.024903   0.044845   0.025347  -0.099074   0.075003
    13  C   -0.764128  -0.173700  -0.002100  -0.362869   0.574309
    14  C   -0.133776   0.495980  -0.207439  -0.170419   0.638273
    15  C    0.015221   0.048622  -0.029936  -0.114371   0.018881
    16  C   -0.078478  -0.017682  -0.079314  -0.141579  -0.084111
    17  C    0.534329   0.196759  -0.068139  -0.164676   0.019028
    18  C   -0.122910   0.159508  -0.177822  -0.005452   0.008614
    19  C   -0.007179  -0.453932  -0.068974   0.172944   0.006543
    20  C    0.044016  -0.181311   0.277590   0.951563  -1.442726
    21  Zr  -0.066200  -0.060110   0.052185  -0.248899   0.079650
    22  Cl  -0.001315  -0.000200   0.000648  -0.001204  -0.000884
    23  Cl   0.023146  -0.000870   0.002524   0.012378  -0.008093
    24  H   -0.001620  -0.000099  -0.004569  -0.011587   0.002024
    25  H    0.000876  -0.000057   0.000290  -0.004829  -0.000615
    26  H    0.001029   0.000218   0.000814   0.009395  -0.000668
    27  H    0.000860   0.000043   0.000056   0.000426   0.000092
    28  H    0.000018  -0.000004  -0.000025  -0.000153   0.000009
    29  H   -0.000006   0.000002   0.000006   0.000314   0.000025
    30  H    0.000424   0.000058  -0.000081   0.000135   0.000158
    31  H    0.000080   0.000012   0.000011   0.000133   0.000026
    32  H    0.000372   0.000042  -0.000002   0.000136   0.000105
    33  H    0.001193   0.000102   0.000192   0.001014   0.000528
    34  H   -0.003282  -0.000059  -0.000434   0.000844   0.000300
    35  H    0.002257  -0.003675   0.004195   0.000042  -0.000289
    36  H   -0.003439  -0.000863  -0.000700  -0.003845  -0.001831
    37  H    0.000507  -0.000819   0.002236   0.003448   0.001005
    38  H   -0.000564  -0.000429  -0.001040  -0.014162   0.015188
    39  H   -0.002093  -0.000259   0.006040  -0.013486   0.016040
    40  H    0.169065   0.020696  -0.001963  -0.025860   0.021748
    41  H   -0.200130   0.029723   0.008613   0.015699  -0.016965
    42  H   -0.578103  -0.088587  -0.104659  -0.000129   0.016401
    43  H    2.464875  -0.052833   0.133686   0.056742  -0.006904
    44  H   -0.052833   1.957971  -0.459125  -0.204957   0.034193
    45  H    0.133686  -0.459125   2.164518   0.168917  -0.198172
    46  H    0.056742  -0.204957   0.168917   2.125001  -0.661541
    47  H   -0.006904   0.034193  -0.198172  -0.661541   2.162925
 Mulliken charges:
               1
     1  C    1.303216
     2  C   -0.579408
     3  C   -0.954845
     4  C    1.206793
     5  C    0.990010
     6  C    1.041667
     7  C    0.477448
     8  C    0.321404
     9  C    0.312209
    10  C    1.049782
    11  C    1.322498
    12  C   -0.084378
    13  C   -0.466962
    14  C   -1.155203
    15  C    0.862853
    16  C    0.667504
    17  C    1.254095
    18  C    1.143927
    19  C    1.041188
    20  C    0.984597
    21  Zr   0.874626
    22  Cl  -0.366142
    23  Cl  -0.407297
    24  H   -1.019013
    25  H   -0.940359
    26  H   -0.463292
    27  H   -0.377641
    28  H   -0.281798
    29  H   -0.412920
    30  H   -0.408259
    31  H   -0.275854
    32  H   -0.199836
    33  H   -0.201078
    34  H   -0.317352
    35  H   -0.490404
    36  H   -0.476318
    37  H   -0.334069
    38  H   -1.032782
    39  H   -0.959302
    40  H   -0.248347
    41  H   -0.398960
    42  H   -0.313479
    43  H   -0.447828
    44  H   -0.286499
    45  H   -0.431884
    46  H   -0.241362
    47  H   -0.280945
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.462282
     2  C   -0.579408
     3  C   -0.954845
     4  C    0.805879
     5  C    0.305897
     6  C    0.346949
     7  C   -0.462911
     8  C   -0.697610
     9  C    0.312209
    10  C    0.242025
    11  C    0.512111
    12  C   -0.084378
    13  C   -0.466962
    14  C   -1.155203
    15  C   -0.096448
    16  C   -0.365278
    17  C    0.606788
    18  C    0.382620
    19  C    0.322805
    20  C    0.462290
    21  Zr   0.874626
    22  Cl  -0.366142
    23  Cl  -0.407297
 Electronic spatial extent (au):  <R**2>=           7211.9020
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2486    Y=              5.2678    Z=             -0.1970  Tot=              5.2773
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -159.2884   YY=           -173.4016   ZZ=           -170.2154
   XY=             -0.0930   XZ=              1.8371   YZ=              0.1546
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.3467   YY=             -5.7665   ZZ=             -2.5802
   XY=             -0.0930   XZ=              1.8371   YZ=              0.1546
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.3774  YYY=             11.0302  ZZZ=             -0.3267  XYY=             -1.7599
  XXY=             -8.6811  XXZ=             -0.4555  XZZ=              1.9077  YZZ=             -8.1362
  YYZ=              1.5520  XYZ=            -23.1551
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5839.4446 YYYY=          -2339.1060 ZZZZ=          -1610.3332 XXXY=             -6.9799
 XXXZ=            -25.0223 YYYX=              1.8726 YYYZ=             -5.1417 ZZZX=            -31.1654
 ZZZY=              5.0220 XXYY=          -1381.7522 XXZZ=          -1283.2054 YYZZ=           -673.6568
 XXYZ=             -1.2544 YYXZ=             17.0267 ZZXY=              0.7558
 N-N= 2.554116412909D+03 E-N=-9.189331805926D+03  KE= 1.705616387512D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 16:04:51 2021, MaxMem= 10737418240 cpu:              23.5 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.6656    1.6924       -0.1562   -0.1725
 2     -1.6656   -1.6924       -0.1917   -0.2107      -33.1080  -33.0776
 3      0.1561    0.1725       42.2250   42.2052        0.2134    0.2107
 4      0.1916    0.2107       -0.0000    0.0000        0.1610    0.1725
 5     -9.1171   -9.1275       -0.1610   -0.1725        1.6775    1.6924
 6     -0.2134   -0.2107       -1.6774   -1.6924       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.0773   -5.0773       -0.5175   -0.5174
 2      0.6322    0.6322       -0.0000    0.0000       -0.5174   -0.5174
 3      0.6322    0.6322       -5.0773   -5.0773        0.0000    0.0000
 4     -5.0773   -5.0773       -0.6322   -0.6322      -99.2328  -99.2328
 5      0.5174    0.5174      126.6155  126.6155        0.6322    0.6322
 6    -27.3826  -27.3826       -0.5175   -0.5174        5.0773    5.0773
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.1481    0.0000       -9.7790   -6.7697        3.5818    0.6899
 2      6.1017    6.7697        2.2982    0.8429      131.2400  132.3105
 3     -0.2840   -0.6899     -165.6025 -168.8206       -1.4647   -0.8429
 4     -1.4018   -0.8429        0.2538    0.0000        0.0727   -0.6899
 5     34.9735   36.5102       -0.1512    0.6899       -5.1760   -6.7697
 6      1.0153    0.8429        6.6714    6.7697        0.5612    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.8395    0.0000       35.9647   31.3188       -0.4998    1.0166
 2    -32.1030  -31.3188      -26.0143   -7.1340       31.3027   24.8545
 3     -5.8722   -1.0166       22.7391   37.6335        8.4664    7.1340
 4      8.6760    7.1340       -2.1623    0.0000        1.2355   -1.0166
 5    -60.2751  -62.4880       -1.0319    1.0166       32.8566   31.3188
 6     -8.3995   -7.1340      -33.5296  -31.3188        0.2768    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.6181   13.0959      -15.8585  -18.0217       -3.6477   -3.4427
 2     23.6788   24.7802       11.1714    6.7709       -7.8227   -3.4427
 3     24.3749   24.7802      -14.8090  -18.0217       -8.3862   -8.1827
 4    -26.6011  -24.7925      -18.4780  -11.6843       59.8076   57.4559
 5     -8.7377   -4.7400       21.3955   35.1081       15.1740   11.6843
 6    -95.7597  -92.5640        0.7782    4.7400       28.7726   24.7925
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0516                 1.4667                 1.3691
  Dep-P Fr= 1--      0.7500                 0.4536                 0.7142
  Dep-U Fr= 1--      0.8571                 0.6241                 0.8333
 Alpha2 Fr= 1--      0.0000                 0.0089                 0.0008
 Beta2  Fr= 1--      0.0074                 0.1526                 0.1901
 AlphaG Fr= 1--      0.0000                -0.0008                -0.0033
 Gamma2 Fr= 1--      0.0569                 0.9705                -0.4389
 Delta2 Fr= 1--      0.0020                 0.1433                 0.1521
 Raman1 Fr= 1--       0.206                  5.867                  5.476
 ROA1   Fr= 1--       5.528                 97.756                -37.271
 CID1   Fr= 1--      26.801                 16.662                 -6.806
 Raman2 Fr= 1--       0.088                  1.831                  2.282
 ROA2   Fr= 1--       1.351                 22.147                -11.752
 CID2   Fr= 1--      15.278                 12.097                 -5.151
 Raman3 Fr= 1--       0.177                  3.661                  4.563
 ROA3   Fr= 1--       5.528                 97.756                -37.271
 CID3   Fr= 1--      31.268                 26.699                 -8.167
 RC180  Fr= 1--       0.714                  0.248                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.2070                 0.7215                 2.0048
  Dep-P Fr= 1--      0.7075                 0.4840                 0.6870
  Dep-U Fr= 1--      0.8287                 0.6523                 0.8145
 Alpha2 Fr= 1--      0.0009                 0.0038                 0.0022
 Beta2  Fr= 1--      0.1667                 0.0784                 0.2721
 AlphaG Fr= 1--      0.0006                -0.0028                 0.0023
 Gamma2 Fr= 1--     -0.2153                -0.1701                -0.5915
 Delta2 Fr= 1--     -0.0386                -0.0838                 0.1327
 Raman1 Fr= 1--       4.828                  2.886                  8.019
 ROA1   Fr= 1--     -21.906                -19.016                -52.540
 CID1   Fr= 1--      -4.537                 -6.589                 -6.552
 Raman2 Fr= 1--       2.000                  0.941                  3.266
 ROA2   Fr= 1--      -4.858                 -3.413                -15.258
 CID2   Fr= 1--      -2.429                 -3.626                 -4.672
 Raman3 Fr= 1--       4.001                  1.883                  6.531
 ROA3   Fr= 1--     -21.906                -19.016                -52.540
 CID3   Fr= 1--      -5.475                -10.101                 -8.044
 RC180  Fr= 1--       0.657                  0.305                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      3.1387                 2.6054                 1.8373
  Dep-P Fr= 1--      0.4301                 0.6301                 0.7364
  Dep-U Fr= 1--      0.6015                 0.7731                 0.8482
 Alpha2 Fr= 1--      0.0208                 0.0057                 0.0004
 Beta2  Fr= 1--      0.3147                 0.3357                 0.2597
 AlphaG Fr= 1--      0.0161                 0.0049                -0.0012
 Gamma2 Fr= 1--      0.3659                 0.8711                -1.3310
 Delta2 Fr= 1--     -0.4257                -0.1312                 0.2395
 Raman1 Fr= 1--      12.555                 10.422                  7.349
 ROA1   Fr= 1--      21.500                 79.424               -120.106
 CID1   Fr= 1--       1.712                  7.621                -16.343
 Raman2 Fr= 1--       3.776                  4.028                  3.117
 ROA2   Fr= 1--      12.186                 21.955                -33.859
 CID2   Fr= 1--       3.227                  5.450                -10.864
 Raman3 Fr= 1--       7.552                  8.057                  6.233
 ROA3   Fr= 1--      21.500                 79.424               -120.106
 CID3   Fr= 1--       2.847                  9.858                -19.268
 RC180  Fr= 1--       0.203                  0.546                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.5119                 6.8180                 3.2293
  Dep-P Fr= 1--      0.2330                 0.2274                 0.5802
  Dep-U Fr= 1--      0.3780                 0.3705                 0.7344
 Alpha2 Fr= 1--      0.0188                 0.0860                 0.0103
 Beta2  Fr= 1--      0.0952                 0.4210                 0.3952
 AlphaG Fr= 1--      0.0096                -0.1119                 0.0892
 Gamma2 Fr= 1--      0.6514                 2.7871                 0.5916
 Delta2 Fr= 1--      0.2929                 0.4901                 0.2654
 Raman1 Fr= 1--       6.048                 27.272                 12.917
 ROA1   Fr= 1--      71.904                283.243                 65.289
 CID1   Fr= 1--      11.890                 10.386                  5.054
 Raman2 Fr= 1--       1.143                  5.052                  4.743
 ROA2   Fr= 1--      13.290                 62.969                 12.076
 CID2   Fr= 1--      11.628                 12.464                  2.546
 Raman3 Fr= 1--       2.286                 10.105                  9.486
 ROA3   Fr= 1--      71.904                283.243                 65.289
 CID3   Fr= 1--      31.458                 28.031                  6.883
 RC180  Fr= 1--      -0.244                 -0.259                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      1.5762                 0.7031                 2.1243
  Dep-P Fr= 1--      0.4446                 0.2963                 0.2297
  Dep-U Fr= 1--      0.6155                 0.4572                 0.3736
 Alpha2 Fr= 1--      0.0099                 0.0073                 0.0266
 Beta2  Fr= 1--      0.1617                 0.0536                 0.1323
 AlphaG Fr= 1--      0.0196                 0.0191                 0.0445
 Gamma2 Fr= 1--     -1.4662                 1.0866                 0.0869
 Delta2 Fr= 1--     -0.0990                 0.0738                -0.1419
 Raman1 Fr= 1--       6.305                  2.812                  8.497
 ROA1   Fr= 1--    -143.926                106.680                  3.802
 CID1   Fr= 1--     -22.829                 37.933                  0.447
 Raman2 Fr= 1--       1.940                  0.643                  1.587
 ROA2   Fr= 1--     -34.397                 25.489                  3.221
 CID2   Fr= 1--     -17.727                 39.651                  2.029
 Raman3 Fr= 1--       3.881                  1.286                  3.175
 ROA3   Fr= 1--    -143.926                106.680                  3.802
 CID3   Fr= 1--     -37.088                 82.977                  1.198
 RC180  Fr= 1--       0.231                 -0.086                 -0.253
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     18.0983                 1.2497                 3.3252
  Dep-P Fr= 1--      0.1827                 0.7266                 0.3504
  Dep-U Fr= 1--      0.3089                 0.8416                 0.5189
 Alpha2 Fr= 1--      0.2572                 0.0005                 0.0292
 Beta2  Fr= 1--      0.9318                 0.1753                 0.2876
 AlphaG Fr= 1--     -0.3186                -0.0031                 0.0137
 Gamma2 Fr= 1--     -2.0076                 0.1168                 0.6959
 Delta2 Fr= 1--     -0.0237                -0.0889                 0.5962
 Raman1 Fr= 1--      72.393                  4.999                 13.301
 ROA1   Fr= 1--    -193.486                  8.372                 85.883
 CID1   Fr= 1--      -2.673                  1.675                  6.457
 Raman2 Fr= 1--      11.181                  2.104                  3.451
 ROA2   Fr= 1--     -47.992                  3.515                 11.931
 CID2   Fr= 1--      -4.292                  1.671                  3.457
 Raman3 Fr= 1--      22.363                  4.207                  6.902
 ROA3   Fr= 1--    -193.486                  8.372                 85.883
 CID3   Fr= 1--      -8.652                  1.990                 12.443
 RC180  Fr= 1--      -0.382                  0.683                  0.038
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      4.6343                 3.5749                 8.3166
  Dep-P Fr= 1--      0.1042                 0.7089                 0.0124
  Dep-U Fr= 1--      0.1887                 0.8297                 0.0245
 Alpha2 Fr= 1--      0.0803                 0.0025                 0.1795
 Beta2  Fr= 1--      0.1457                 0.4943                 0.0340
 AlphaG Fr= 1--      0.0188                 0.0026                -0.1411
 Gamma2 Fr= 1--      0.6429                -0.6598                 0.5463
 Delta2 Fr= 1--      0.0887                 0.3727                -0.0462
 Raman1 Fr= 1--      18.537                 14.300                 33.266
 ROA1   Fr= 1--      64.559                -51.413                 50.968
 CID1   Fr= 1--       3.483                 -3.595                  1.532
 Raman2 Fr= 1--       1.749                  5.932                  0.408
 ROA2   Fr= 1--      14.721                -18.817                 13.482
 CID2   Fr= 1--       8.418                 -3.172                 33.082
 Raman3 Fr= 1--       3.498                 11.864                  0.815
 ROA3   Fr= 1--      64.559                -51.413                 50.968
 CID3   Fr= 1--      18.458                 -4.333                 62.533
 RC180  Fr= 1--      -0.623                  0.659                 -0.951
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.3451                 5.5341                 6.1369
  Dep-P Fr= 1--      0.4164                 0.4582                 0.4064
  Dep-U Fr= 1--      0.5880                 0.6285                 0.5780
 Alpha2 Fr= 1--      0.0024                 0.0328                 0.0444
 Beta2  Fr= 1--      0.0338                 0.5797                 0.5912
 AlphaG Fr= 1--     -0.0080                 0.0928                 0.1109
 Gamma2 Fr= 1--      2.3285                -0.7551                 1.9133
 Delta2 Fr= 1--     -0.2672                -0.8272                 0.1453
 Raman1 Fr= 1--       1.380                 22.136                 24.547
 ROA1   Fr= 1--     214.988                -98.958                188.326
 CID1   Fr= 1--     155.737                 -4.470                  7.672
 Raman2 Fr= 1--       0.406                  6.956                  7.094
 ROA2   Fr= 1--      58.021                -11.504                 44.757
 CID2   Fr= 1--     142.968                 -1.654                  6.309
 Raman3 Fr= 1--       0.812                 13.912                 14.188
 ROA3   Fr= 1--     214.988                -98.958                188.326
 CID3   Fr= 1--     264.870                 -7.113                 13.274
 RC180  Fr= 1--       0.176                  0.257                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      8.5397                 1.7236                 1.0678
  Dep-P Fr= 1--      0.4858                 0.3783                 0.5401
  Dep-U Fr= 1--      0.6539                 0.5489                 0.7014
 Alpha2 Fr= 1--      0.0450                 0.0138                 0.0043
 Beta2  Fr= 1--      0.9307                 0.1577                 0.1248
 AlphaG Fr= 1--      0.5172                 0.0664                 0.0301
 Gamma2 Fr= 1--     -4.3225                -0.4645                 0.5017
 Delta2 Fr= 1--     -0.4148                -0.3102                 0.0260
 Raman1 Fr= 1--      34.159                  6.894                  4.271
 ROA1   Fr= 1--    -428.230                -54.516                 48.998
 CID1   Fr= 1--     -12.536                 -7.907                 11.471
 Raman2 Fr= 1--      11.168                  1.892                  1.498
 ROA2   Fr= 1--    -100.421                 -8.665                 11.834
 CID2   Fr= 1--      -8.992                 -4.580                  7.900
 Raman3 Fr= 1--      22.336                  3.784                  2.996
 ROA3   Fr= 1--    -428.230                -54.516                 48.998
 CID3   Fr= 1--     -19.172                -14.406                 16.355
 RC180  Fr= 1--       0.308                  0.098                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.7044                 2.5835                 0.4562
  Dep-P Fr= 1--      0.3439                 0.6040                 0.7179
  Dep-U Fr= 1--      0.5118                 0.7531                 0.8358
 Alpha2 Fr= 1--      0.0153                 0.0070                 0.0003
 Beta2  Fr= 1--      0.1454                 0.3243                 0.0636
 AlphaG Fr= 1--     -0.0785                 0.0464                 0.0093
 Gamma2 Fr= 1--     -0.6119                 1.6223                -0.6355
 Delta2 Fr= 1--     -0.8804                 0.7343                -0.7064
 Raman1 Fr= 1--       6.817                 10.334                  1.825
 ROA1   Fr= 1--     -86.917                179.235                -83.611
 CID1   Fr= 1--     -12.749                 17.344                -45.817
 Raman2 Fr= 1--       1.745                  3.891                  0.763
 ROA2   Fr= 1--      -7.644                 33.060                 -9.600
 CID2   Fr= 1--      -4.381                  8.496                -12.588
 Raman3 Fr= 1--       3.489                  7.783                  1.525
 ROA3   Fr= 1--     -86.917                179.235                -83.611
 CID3   Fr= 1--     -24.911                 23.030                -54.816
 RC180  Fr= 1--       0.024                  0.506                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.6060                 1.4589                 5.9021
  Dep-P Fr= 1--      0.7164                 0.2724                 0.0584
  Dep-U Fr= 1--      0.8348                 0.4282                 0.1103
 Alpha2 Fr= 1--      0.0009                 0.0162                 0.1143
 Beta2  Fr= 1--      0.2234                 0.1041                 0.1085
 AlphaG Fr= 1--     -0.0114                 0.0323                -0.1966
 Gamma2 Fr= 1--     -0.1172                 0.3644                -0.8348
 Delta2 Fr= 1--      0.4760                 0.4499                 0.1301
 Raman1 Fr= 1--       6.424                  5.835                 23.608
 ROA1   Fr= 1--       3.982                 49.378                -75.973
 CID1   Fr= 1--       0.620                  8.462                 -3.218
 Raman2 Fr= 1--       2.681                  1.249                  1.302
 ROA2   Fr= 1--      -6.621                  5.145                -21.075
 CID2   Fr= 1--      -2.469                  4.118                -16.186
 Raman3 Fr= 1--       5.363                  2.499                  2.604
 ROA3   Fr= 1--       3.982                 49.378                -75.973
 CID3   Fr= 1--       0.743                 19.760                -29.174
 RC180  Fr= 1--       0.670                 -0.144                 -0.779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.7308                 0.5779                 1.0706
  Dep-P Fr= 1--      0.3833                 0.7480                 0.5037
  Dep-U Fr= 1--      0.5542                 0.8558                 0.6699
 Alpha2 Fr= 1--      0.0136                 0.0000                 0.0052
 Beta2  Fr= 1--      0.1599                 0.0824                 0.1195
 AlphaG Fr= 1--     -0.0552                -0.0029                 0.0195
 Gamma2 Fr= 1--     -0.7987                 1.1423                -1.5022
 Delta2 Fr= 1--      0.1583                -0.1321                -1.3039
 Raman1 Fr= 1--       6.923                  2.312                  4.282
 ROA1   Fr= 1--     -71.609                105.437               -185.932
 CID1   Fr= 1--     -10.343                 45.612                -43.417
 Raman2 Fr= 1--       1.918                  0.989                  1.434
 ROA2   Fr= 1--     -20.435                 28.472                -25.620
 CID2   Fr= 1--     -10.653                 28.784                -17.861
 Raman3 Fr= 1--       3.837                  1.978                  2.869
 ROA3   Fr= 1--     -71.609                105.437               -185.932
 CID3   Fr= 1--     -18.665                 53.295                -64.810
 RC180  Fr= 1--       0.108                  0.712                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      4.5725                 3.1315                20.6865
  Dep-P Fr= 1--      0.3382                 0.1930                 0.0424
  Dep-U Fr= 1--      0.5055                 0.3235                 0.0813
 Alpha2 Fr= 1--      0.0417                 0.0433                 0.4161
 Beta2  Fr= 1--      0.3852                 0.1688                 0.2805
 AlphaG Fr= 1--     -0.2394                 0.1217                -0.3238
 Gamma2 Fr= 1--     -1.5121                -0.5751                -2.8874
 Delta2 Fr= 1--      0.4740                -0.9156                -0.3277
 Raman1 Fr= 1--      18.290                 12.526                 82.746
 ROA1   Fr= 1--    -129.993                -84.506               -287.673
 CID1   Fr= 1--      -7.107                 -6.746                 -3.477
 Raman2 Fr= 1--       4.623                  2.026                  3.366
 ROA2   Fr= 1--     -40.083                 -6.476                -66.675
 CID2   Fr= 1--      -8.671                 -3.196                -19.811
 Raman3 Fr= 1--       9.246                  4.052                  6.731
 ROA3   Fr= 1--    -129.993                -84.506               -287.673
 CID3   Fr= 1--     -14.060                -20.853                -42.738
 RC180  Fr= 1--       0.011                 -0.353                 -0.837
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.6551                 5.0295                 1.2224
  Dep-P Fr= 1--      0.1382                 0.2582                 0.5635
  Dep-U Fr= 1--      0.2428                 0.4105                 0.7208
 Alpha2 Fr= 1--      0.1060                 0.0582                 0.0043
 Beta2  Fr= 1--      0.2693                 0.3441                 0.1468
 AlphaG Fr= 1--      0.0597                -0.3179                -0.0081
 Gamma2 Fr= 1--     -0.2595                 1.2979                 0.3834
 Delta2 Fr= 1--     -0.2955                -0.7359                 0.4135
 Raman1 Fr= 1--      26.620                 20.118                  4.889
 ROA1   Fr= 1--     -34.369                101.050                 50.036
 CID1   Fr= 1--      -1.291                  5.023                 10.234
 Raman2 Fr= 1--       3.231                  4.129                  1.762
 ROA2   Fr= 1--      -3.864                 37.036                  5.892
 CID2   Fr= 1--      -1.196                  8.970                  3.344
 Raman3 Fr= 1--       6.463                  8.258                  3.524
 ROA3   Fr= 1--     -34.369                101.050                 50.036
 CID3   Fr= 1--      -5.318                 12.237                 14.198
 RC180  Fr= 1--      -0.514                 -0.179                  0.442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      4.3491                 5.2169                 4.2653
  Dep-P Fr= 1--      0.6463                 0.4793                 0.2331
  Dep-U Fr= 1--      0.7852                 0.6480                 0.3780
 Alpha2 Fr= 1--      0.0081                 0.0283                 0.0530
 Beta2  Fr= 1--      0.5691                 0.5634                 0.2687
 AlphaG Fr= 1--     -0.0299                -0.0650                 0.0077
 Gamma2 Fr= 1--     -2.8363                -1.4349                 1.7882
 Delta2 Fr= 1--     -0.3709                 0.0199                 0.4363
 Raman1 Fr= 1--      17.397                 20.867                 17.061
 ROA1   Fr= 1--    -284.149               -137.117                185.627
 CID1   Fr= 1--     -16.334                 -6.571                 10.880
 Raman2 Fr= 1--       6.830                  6.761                  3.225
 ROA2   Fr= 1--     -65.103                -34.598                 39.425
 CID2   Fr= 1--      -9.532                 -5.117                 12.226
 Raman3 Fr= 1--      13.659                 13.523                  6.449
 ROA3   Fr= 1--    -284.149               -137.117                185.627
 CID3   Fr= 1--     -20.802                -10.140                 28.782
 RC180  Fr= 1--       0.570                  0.296                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      3.0358                 5.4608                 1.0920
  Dep-P Fr= 1--      0.0870                 0.0413                 0.5734
  Dep-U Fr= 1--      0.1601                 0.0793                 0.7288
 Alpha2 Fr= 1--      0.0549                 0.1101                 0.0036
 Beta2  Fr= 1--      0.0810                 0.0722                 0.1326
 AlphaG Fr= 1--     -0.0639                 0.0317                 0.0039
 Gamma2 Fr= 1--     -0.2613                -1.9543                 2.5232
 Delta2 Fr= 1--      0.0416                -1.3634                 1.6256
 Raman1 Fr= 1--      12.143                 21.843                  4.368
 ROA1   Fr= 1--     -23.751               -231.238                294.249
 CID1   Fr= 1--      -1.956                -10.586                 67.367
 Raman2 Fr= 1--       0.972                  0.866                  1.592
 ROA2   Fr= 1--      -6.603                -35.996                 47.552
 CID2   Fr= 1--      -6.794                -41.549                 29.875
 Raman3 Fr= 1--       1.944                  1.733                  3.183
 ROA3   Fr= 1--     -23.751               -231.238                294.249
 CID3   Fr= 1--     -12.218               -133.455                 92.432
 RC180  Fr= 1--      -0.680                 -0.841                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      0.8258                 2.1429                 0.6874
  Dep-P Fr= 1--      0.6182                 0.4397                 0.7492
  Dep-U Fr= 1--      0.7641                 0.6108                 0.8567
 Alpha2 Fr= 1--      0.0020                 0.0137                 0.0000
 Beta2  Fr= 1--      0.1052                 0.2181                 0.0981
 AlphaG Fr= 1--      0.0038                 0.0387                -0.0013
 Gamma2 Fr= 1--     -0.6070                 2.5655                -0.4213
 Delta2 Fr= 1--      1.3419                 0.2411                 0.1785
 Raman1 Fr= 1--       3.303                  8.572                  2.750
 ROA1   Fr= 1--     -15.334                254.000                -34.730
 CID1   Fr= 1--      -4.642                 29.632                -12.630
 Raman2 Fr= 1--       1.262                  2.618                  1.178
 ROA2   Fr= 1--     -25.304                 59.643                -11.539
 CID2   Fr= 1--     -20.051                 22.784                 -9.797
 Raman3 Fr= 1--       2.524                  5.235                  2.356
 ROA3   Fr= 1--     -15.334                254.000                -34.730
 CID3   Fr= 1--      -6.075                 48.516                -14.744
 RC180  Fr= 1--       0.528                  0.222                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.4569                 1.4146                 0.4765
  Dep-P Fr= 1--      0.3528                 0.2725                 0.2372
  Dep-U Fr= 1--      0.5216                 0.4283                 0.3835
 Alpha2 Fr= 1--      0.0040                 0.0157                 0.0059
 Beta2  Fr= 1--      0.0397                 0.1010                 0.0305
 AlphaG Fr= 1--      0.0762                 0.0915                 0.0114
 Gamma2 Fr= 1--      0.0950                 0.1231                -0.6550
 Delta2 Fr= 1--      0.2907                -0.3669                -0.0065
 Raman1 Fr= 1--       1.827                  5.658                  1.906
 ROA1   Fr= 1--      18.421                  0.075                -63.090
 CID1   Fr= 1--      10.080                  0.013                -33.100
 Raman2 Fr= 1--       0.477                  1.212                  0.365
 ROA2   Fr= 1--      -0.046                  5.888                -15.668
 CID2   Fr= 1--      -0.096                  4.859                -42.869
 Raman3 Fr= 1--       0.953                  2.424                  0.731
 ROA3   Fr= 1--      18.421                  0.075                -63.090
 CID3   Fr= 1--      19.326                  0.031                -86.311
 RC180  Fr= 1--       0.043                 -0.143                 -0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.6963                 3.1092                 5.0963
  Dep-P Fr= 1--      0.0424                 0.1882                 0.7356
  Dep-U Fr= 1--      0.0813                 0.3168                 0.8476
 Alpha2 Fr= 1--      0.0140                 0.0436                 0.0013
 Beta2  Fr= 1--      0.0094                 0.1642                 0.7200
 AlphaG Fr= 1--      0.0382                -0.0770                -0.0135
 Gamma2 Fr= 1--      0.4212                 1.7013                 5.0146
 Delta2 Fr= 1--      0.0565                -0.6226                 1.5941
 Raman1 Fr= 1--       2.785                 12.437                 20.385
 ROA1   Fr= 1--      42.239                143.404                532.411
 CID1   Fr= 1--      15.165                 11.531                 26.118
 Raman2 Fr= 1--       0.113                  1.970                  8.640
 ROA2   Fr= 1--       9.657                 45.813                107.597
 CID2   Fr= 1--      85.294                 23.255                 12.454
 Raman3 Fr= 1--       0.226                  3.940                 17.279
 ROA3   Fr= 1--      42.239                143.404                532.411
 CID3   Fr= 1--     186.544                 36.397                 30.813
 RC180  Fr= 1--      -0.837                 -0.366                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      4.2071                 1.6524                 1.0621
  Dep-P Fr= 1--      0.7308                 0.3306                 0.7250
  Dep-U Fr= 1--      0.8445                 0.4969                 0.8406
 Alpha2 Fr= 1--      0.0014                 0.0154                 0.0005
 Beta2  Fr= 1--      0.5921                 0.1369                 0.1488
 AlphaG Fr= 1--     -0.0019                -0.0092                -0.0040
 Gamma2 Fr= 1--     -1.7883                -2.0203                 0.0281
 Delta2 Fr= 1--     -1.3242                -0.8340                -0.1390
 Raman1 Fr= 1--      16.828                  6.610                  4.248
 ROA1   Fr= 1--    -214.047               -220.634                 -1.748
 CID1   Fr= 1--     -12.719                -33.381                 -0.411
 Raman2 Fr= 1--       7.106                  1.642                  1.786
 ROA2   Fr= 1--     -32.324                -41.815                  1.787
 CID2   Fr= 1--      -4.549                -25.462                  1.001
 Raman3 Fr= 1--      14.211                  3.285                  3.571
 ROA3   Fr= 1--    -214.047               -220.634                 -1.748
 CID3   Fr= 1--     -15.062                -67.174                 -0.489
 RC180  Fr= 1--       0.689                 -0.006                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      4.8865                 2.6735                 1.8391
  Dep-P Fr= 1--      0.1049                 0.3684                 0.6434
  Dep-U Fr= 1--      0.1898                 0.5384                 0.7830
 Alpha2 Fr= 1--      0.0845                 0.0221                 0.0035
 Beta2  Fr= 1--      0.1546                 0.2399                 0.2400
 AlphaG Fr= 1--     -0.0991                -0.0419                 0.0509
 Gamma2 Fr= 1--      2.8484                 2.4879                 0.3647
 Delta2 Fr= 1--      0.8517                 0.5487                -1.3047
 Raman1 Fr= 1--      19.546                 10.694                  7.356
 ROA1   Fr= 1--     300.698                256.401                 -6.734
 CID1   Fr= 1--      15.384                 23.976                 -0.915
 Raman2 Fr= 1--       1.855                  2.879                  2.880
 ROA2   Fr= 1--      61.547                 55.321                 19.191
 CID2   Fr= 1--      33.181                 19.217                  6.664
 Raman3 Fr= 1--       3.710                  5.758                  5.760
 ROA3   Fr= 1--     300.698                256.401                 -6.734
 CID3   Fr= 1--      81.055                 44.533                 -1.169
 RC180  Fr= 1--      -0.620                  0.077                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.1242                 4.4499                 1.1402
  Dep-P Fr= 1--      0.7091                 0.5537                 0.3484
  Dep-U Fr= 1--      0.8298                 0.7127                 0.5168
 Alpha2 Fr= 1--      0.0008                 0.0167                 0.0101
 Beta2  Fr= 1--      0.1555                 0.5286                 0.0982
 AlphaG Fr= 1--      0.0011                -0.0967                -0.0408
 Gamma2 Fr= 1--      2.3710                -4.1044                -0.4561
 Delta2 Fr= 1--      1.6635                -0.7834                 0.0574
 Raman1 Fr= 1--       4.497                 17.800                  4.561
 ROA1   Fr= 1--     280.851               -419.092                -41.954
 CID1   Fr= 1--      62.453                -23.545                 -9.199
 Raman2 Fr= 1--       1.866                  6.343                  1.178
 ROA2   Fr= 1--      43.597                -92.238                -11.406
 CID2   Fr= 1--      23.366                -14.542                 -9.679
 Raman3 Fr= 1--       3.732                 12.686                  2.357
 ROA3   Fr= 1--     280.851               -419.092                -41.954
 CID3   Fr= 1--      75.262                -33.035                -17.801
 RC180  Fr= 1--       0.660                  0.425                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      1.6831                 0.5770                 1.7408
  Dep-P Fr= 1--      0.0950                 0.7409                 0.6199
  Dep-U Fr= 1--      0.1736                 0.8512                 0.7653
 Alpha2 Fr= 1--      0.0298                 0.0001                 0.0041
 Beta2  Fr= 1--      0.0487                 0.0819                 0.2221
 AlphaG Fr= 1--      0.0756                 0.0008                -0.0024
 Gamma2 Fr= 1--     -0.6579                -2.1150                 0.7157
 Delta2 Fr= 1--     -0.5818                -0.7195                 0.6600
 Raman1 Fr= 1--       6.733                  2.308                  6.963
 ROA1   Fr= 1--     -81.773               -226.068                 89.824
 CID1   Fr= 1--     -12.146                -97.956                 12.900
 Raman2 Fr= 1--       0.584                  0.982                  2.665
 ROA2   Fr= 1--     -11.134                -45.005                 11.896
 CID2   Fr= 1--     -19.056                -45.820                  4.464
 Raman3 Fr= 1--       1.169                  1.964                  5.329
 ROA3   Fr= 1--     -81.773               -226.068                 89.824
 CID3   Fr= 1--     -69.976               -115.082                 16.855
 RC180  Fr= 1--      -0.653                  0.702                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.4456                 1.0786                 0.9867
  Dep-P Fr= 1--      0.3313                 0.4978                 0.5206
  Dep-U Fr= 1--      0.4977                 0.6647                 0.6847
 Alpha2 Fr= 1--      0.0042                 0.0054                 0.0044
 Beta2  Fr= 1--      0.0370                 0.1195                 0.1126
 AlphaG Fr= 1--      0.0415                -0.0113                 0.0124
 Gamma2 Fr= 1--     -1.9494                -0.5555                 0.0462
 Delta2 Fr= 1--     -0.3245                 0.6106                 0.1477
 Raman1 Fr= 1--       1.783                  4.314                  3.947
 ROA1   Fr= 1--    -197.522                -33.792                  9.158
 CID1   Fr= 1--    -110.811                 -7.832                  2.320
 Raman2 Fr= 1--       0.444                  1.434                  1.351
 ROA2   Fr= 1--     -44.189                -18.218                 -0.074
 CID2   Fr= 1--     -99.610                -12.706                 -0.055
 Raman3 Fr= 1--       0.887                  2.868                  2.702
 ROA3   Fr= 1--    -197.522                -33.792                  9.158
 CID3   Fr= 1--    -222.625                -11.784                  3.389
 RC180  Fr= 1--      -0.005                  0.329                  0.369
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      3.6187                 0.6349                 2.2313
  Dep-P Fr= 1--      0.1953                 0.7337                 0.3087
  Dep-U Fr= 1--      0.3268                 0.8464                 0.4717
 Alpha2 Fr= 1--      0.0498                 0.0002                 0.0223
 Beta2  Fr= 1--      0.1971                 0.0896                 0.1754
 AlphaG Fr= 1--      0.0133                -0.0024                -0.0157
 Gamma2 Fr= 1--     -3.7464                 2.5347                -2.6178
 Delta2 Fr= 1--     -2.5947                 1.4110                -0.7231
 Raman1 Fr= 1--      14.475                  2.540                  8.925
 ROA1   Fr= 1--    -442.690                288.484               -274.447
 CID1   Fr= 1--     -30.583                113.588                -30.749
 Raman2 Fr= 1--       2.365                  1.075                  2.105
 ROA2   Fr= 1--     -69.157                 49.545                -57.042
 CID2   Fr= 1--     -29.238                 46.097                -27.097
 Raman3 Fr= 1--       4.731                  2.150                  4.210
 ROA3   Fr= 1--    -442.690                288.484               -274.447
 CID3   Fr= 1--     -93.579                134.203                -65.186
 RC180  Fr= 1--      -0.346                  0.693                 -0.057
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      0.7381                 7.8456                 0.7230
  Dep-P Fr= 1--      0.5664                 0.3330                 0.7434
  Dep-U Fr= 1--      0.7232                 0.4996                 0.8528
 Alpha2 Fr= 1--      0.0026                 0.0727                 0.0001
 Beta2  Fr= 1--      0.0890                 0.6533                 0.1028
 AlphaG Fr= 1--     -0.0065                 0.0323                 0.0060
 Gamma2 Fr= 1--     -1.0570                 5.9677                 1.4991
 Delta2 Fr= 1--     -0.6315                -1.1376                 0.5402
 Raman1 Fr= 1--       2.953                 31.383                  2.892
 ROA1   Fr= 1--    -121.681                536.497                161.198
 CID1   Fr= 1--     -41.213                 17.095                 55.742
 Raman2 Fr= 1--       1.068                  7.839                  1.233
 ROA2   Fr= 1--     -20.316                152.325                 31.656
 CID2   Fr= 1--     -19.030                 19.431                 25.672
 Raman3 Fr= 1--       2.135                 15.679                  2.466
 ROA3   Fr= 1--    -121.681                536.497                161.198
 CID3   Fr= 1--     -56.989                 34.219                 65.361
 RC180  Fr= 1--       0.446                 -0.001                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      1.6843                10.7201                 8.1896
  Dep-P Fr= 1--      0.6215                 0.2669                 0.7041
  Dep-U Fr= 1--      0.7666                 0.4213                 0.8263
 Alpha2 Fr= 1--      0.0040                 0.1211                 0.0065
 Beta2  Fr= 1--      0.2152                 0.7528                 1.1279
 AlphaG Fr= 1--     -0.0683                 0.1772                 0.0226
 Gamma2 Fr= 1--     -2.6702                 8.9056                -6.7953
 Delta2 Fr= 1--     -0.7329                 2.9610                -3.2881
 Raman1 Fr= 1--       6.737                 42.880                 32.758
 ROA1   Fr= 1--    -279.794                949.687               -757.572
 CID1   Fr= 1--     -41.531                 22.147                -23.126
 Raman2 Fr= 1--       2.582                  9.034                 13.535
 ROA2   Fr= 1--     -58.222                190.046               -136.784
 CID2   Fr= 1--     -22.547                 21.037                -10.106
 Raman3 Fr= 1--       5.164                 18.067                 27.070
 ROA3   Fr= 1--    -279.794                949.687               -757.572
 CID3   Fr= 1--     -54.177                 52.563                -27.986
 RC180  Fr= 1--       0.533                 -0.157                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     10.5968                20.8750                 5.0802
  Dep-P Fr= 1--      0.1999                 0.0578                 0.2155
  Dep-U Fr= 1--      0.3332                 0.1092                 0.3546
 Alpha2 Fr= 1--      0.1439                 0.4048                 0.0662
 Beta2  Fr= 1--      0.5885                 0.3801                 0.3002
 AlphaG Fr= 1--      0.1349                 0.6625                -0.3335
 Gamma2 Fr= 1--     -2.7435                 3.3062                 2.7866
 Delta2 Fr= 1--     -0.4113                -0.5578                -1.3759
 Raman1 Fr= 1--      42.387                 83.500                 20.321
 ROA1   Fr= 1--    -276.532                299.541                223.484
 CID1   Fr= 1--      -6.524                  3.587                 10.998
 Raman2 Fr= 1--       7.063                  4.561                  3.602
 ROA2   Fr= 1--     -62.553                 83.811                 77.885
 CID2   Fr= 1--      -8.857                 18.376                 21.620
 Raman3 Fr= 1--      14.125                  9.122                  7.205
 ROA3   Fr= 1--    -276.532                299.541                223.484
 CID3   Fr= 1--     -19.577                 32.837                 31.019
 RC180  Fr= 1--      -0.334                 -0.782                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.0515                 3.4219                 5.0835
  Dep-P Fr= 1--      0.6819                 0.7257                 0.5774
  Dep-U Fr= 1--      0.8109                 0.8410                 0.7321
 Alpha2 Fr= 1--      0.0013                 0.0014                 0.0165
 Beta2  Fr= 1--      0.1421                 0.4797                 0.6203
 AlphaG Fr= 1--     -0.0040                 0.0316                 0.0522
 Gamma2 Fr= 1--     -0.8064                -0.7105                 5.6667
 Delta2 Fr= 1--     -0.3918                 0.3240                 3.3018
 Raman1 Fr= 1--       4.206                 13.688                 20.334
 ROA1   Fr= 1--     -89.955                -57.839                649.662
 CID1   Fr= 1--     -21.387                 -4.226                 31.950
 Raman2 Fr= 1--       1.705                  5.756                  7.443
 ROA2   Fr= 1--     -16.221                -19.643                109.587
 CID2   Fr= 1--      -9.512                 -3.413                 14.723
 Raman3 Fr= 1--       3.411                 11.512                 14.886
 ROA3   Fr= 1--     -89.955                -57.839                649.662
 CID3   Fr= 1--     -26.376                 -5.024                 43.642
 RC180  Fr= 1--       0.622                  0.682                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--      9.2667                 7.8141                 5.6226
  Dep-P Fr= 1--      0.3536                 0.3619                 0.2275
  Dep-U Fr= 1--      0.5224                 0.5314                 0.3706
 Alpha2 Fr= 1--      0.0804                 0.0660                 0.0709
 Beta2  Fr= 1--      0.8068                 0.6921                 0.3473
 AlphaG Fr= 1--     -0.0194                 0.0594                -0.0855
 Gamma2 Fr= 1--     -3.2263                -2.8766                -1.7038
 Delta2 Fr= 1--     -1.4066                -1.7987                -1.1632
 Raman1 Fr= 1--      37.067                 31.256                 22.490
 ROA1   Fr= 1--    -354.734               -333.706               -200.787
 CID1   Fr= 1--      -9.570                -10.676                 -8.928
 Raman2 Fr= 1--       9.682                  8.306                  4.168
 ROA2   Fr= 1--     -66.178                -54.648                -31.586
 CID2   Fr= 1--      -6.835                 -6.580                 -7.579
 Raman3 Fr= 1--      19.364                 16.611                  8.335
 ROA3   Fr= 1--    -354.734               -333.706               -200.787
 CID3   Fr= 1--     -18.319                -20.089                -24.088
 RC180  Fr= 1--       0.045                  0.063                 -0.259
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     28.5878                 2.6321                 1.0567
  Dep-P Fr= 1--      0.2237                 0.2766                 0.1836
  Dep-U Fr= 1--      0.3656                 0.4333                 0.3102
 Alpha2 Fr= 1--      0.3643                 0.0289                 0.0150
 Beta2  Fr= 1--      1.7419                 0.1901                 0.0546
 AlphaG Fr= 1--      0.0383                -0.0119                 0.0786
 Gamma2 Fr= 1--      3.8178                -1.1546                 1.3839
 Delta2 Fr= 1--     -1.9519                -0.1696                 0.3050
 Raman1 Fr= 1--     114.351                 10.528                  4.227
 ROA1   Fr= 1--     304.050               -116.268                142.616
 CID1   Fr= 1--       2.659                -11.043                 33.740
 Raman2 Fr= 1--      20.903                  2.281                  0.656
 ROA2   Fr= 1--     107.242                -26.354                 30.774
 CID2   Fr= 1--       5.130                -11.553                 46.935
 Raman3 Fr= 1--      41.806                  4.562                  1.311
 ROA3   Fr= 1--     304.050               -116.268                142.616
 CID3   Fr= 1--       7.273                -25.486                108.754
 RC180  Fr= 1--      -0.269                 -0.133                 -0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      4.1534                 5.2167                 9.2192
  Dep-P Fr= 1--      0.2672                 0.1829                 0.2505
  Dep-U Fr= 1--      0.4217                 0.3092                 0.4006
 Alpha2 Fr= 1--      0.0469                 0.0741                 0.1091
 Beta2  Fr= 1--      0.2919                 0.2689                 0.6155
 AlphaG Fr= 1--     -0.2438                -0.3757                -0.3649
 Gamma2 Fr= 1--      1.0250                 2.1989                -2.0991
 Delta2 Fr= 1--      0.3775                 0.0247                -1.8970
 Raman1 Fr= 1--      16.614                 20.867                 36.877
 ROA1   Fr= 1--     110.476                211.890               -262.216
 CID1   Fr= 1--       6.650                 10.154                 -7.111
 Raman2 Fr= 1--       3.503                  3.226                  7.386
 ROA2   Fr= 1--      21.579                 52.577                -35.202
 CID2   Fr= 1--       6.160                 16.297                 -4.766
 Raman3 Fr= 1--       7.006                  6.452                 14.773
 ROA3   Fr= 1--     110.476                211.890               -262.216
 CID3   Fr= 1--      15.768                 32.839                -17.750
 RC180  Fr= 1--      -0.157                 -0.382                 -0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      3.7804                24.7152                20.4324
  Dep-P Fr= 1--      0.7420                 0.3387                 0.3609
  Dep-U Fr= 1--      0.8519                 0.5060                 0.5304
 Alpha2 Fr= 1--      0.0005                 0.2250                 0.1731
 Beta2  Fr= 1--      0.5368                 2.0844                 1.8062
 AlphaG Fr= 1--      0.0140                 0.4135                -0.0601
 Gamma2 Fr= 1--     -0.8465               -15.1800                -2.1466
 Delta2 Fr= 1--      2.2228                -3.2856                -1.9234
 Raman1 Fr= 1--      15.122                 98.861                 81.730
 ROA1   Fr= 1--     -10.133              -1562.416               -267.621
 CID1   Fr= 1--      -0.670                -15.804                 -3.274
 Raman2 Fr= 1--       6.441                 25.013                 21.674
 ROA2   Fr= 1--     -38.098               -338.035                -36.131
 CID2   Fr= 1--      -5.915                -13.514                 -1.667
 Raman3 Fr= 1--      12.882                 50.026                 43.349
 ROA3   Fr= 1--     -10.133              -1562.416               -267.621
 CID3   Fr= 1--      -0.787                -31.232                 -6.174
 RC180  Fr= 1--       0.704                  0.012                  0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      6.5243                 6.1570                 4.5319
  Dep-P Fr= 1--      0.7168                 0.7153                 0.6975
  Dep-U Fr= 1--      0.8350                 0.8340                 0.8218
 Alpha2 Fr= 1--      0.0037                 0.0037                 0.0042
 Beta2  Fr= 1--      0.9080                 0.8559                 0.6207
 AlphaG Fr= 1--     -0.0730                -0.0602                -0.0215
 Gamma2 Fr= 1--      1.9167                -4.8209                -0.4424
 Delta2 Fr= 1--      1.8018                -0.2916                -1.7336
 Raman1 Fr= 1--      26.097                 24.628                 18.128
 ROA1   Fr= 1--     241.660               -472.132                -97.949
 CID1   Fr= 1--       9.260                -19.170                 -5.403
 Raman2 Fr= 1--      10.896                 10.270                  7.449
 ROA2   Fr= 1--      31.586               -113.368                  3.251
 CID2   Fr= 1--       2.899                -11.038                  0.436
 Raman3 Fr= 1--      21.793                 20.541                 14.897
 ROA3   Fr= 1--     241.660               -472.132                -97.949
 CID3   Fr= 1--      11.089                -22.985                 -6.575
 RC180  Fr= 1--       0.670                  0.668                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      6.2439                14.6168                20.8664
  Dep-P Fr= 1--      0.7371                 0.5482                 0.1446
  Dep-U Fr= 1--      0.8486                 0.7082                 0.2526
 Alpha2 Fr= 1--      0.0014                 0.0565                 0.3270
 Beta2  Fr= 1--      0.8831                 1.7252                 0.8785
 AlphaG Fr= 1--      0.0002                -0.0566                -0.3039
 Gamma2 Fr= 1--     11.8763               -15.2987                 7.8771
 Delta2 Fr= 1--      6.1491                -4.4571                 3.4542
 Raman1 Fr= 1--      24.976                 58.467                 83.466
 ROA1   Fr= 1--    1336.896              -1611.304                866.738
 CID1   Fr= 1--      53.528                -27.559                 10.384
 Raman2 Fr= 1--      10.598                 20.702                 10.542
 ROA2   Fr= 1--     235.838               -331.513                161.417
 CID2   Fr= 1--      22.254                -16.013                 15.311
 Raman3 Fr= 1--      21.195                 41.404                 21.085
 ROA3   Fr= 1--    1336.896              -1611.304                866.738
 CID3   Fr= 1--      63.075                -38.916                 41.108
 RC180  Fr= 1--       0.697                  0.416                 -0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      5.7935                 2.2791                 4.4530
  Dep-P Fr= 1--      0.4839                 0.1325                 0.4760
  Dep-U Fr= 1--      0.6522                 0.2340                 0.6450
 Alpha2 Fr= 1--      0.0308                 0.0368                 0.0245
 Beta2  Fr= 1--      0.6298                 0.0889                 0.4787
 AlphaG Fr= 1--      0.0280                -0.0197                -0.1343
 Gamma2 Fr= 1--     -1.9189                 0.9474                -3.3249
 Delta2 Fr= 1--      2.1375                -0.3250                -1.1523
 Raman1 Fr= 1--      23.174                  9.116                 17.812
 ROA1   Fr= 1--    -115.815                 80.553               -356.069
 CID1   Fr= 1--      -4.998                  8.836                -19.990
 Raman2 Fr= 1--       7.557                  1.067                  5.744
 ROA2   Fr= 1--     -63.153                 25.338                -70.580
 CID2   Fr= 1--      -8.357                 23.757                -12.287
 Raman3 Fr= 1--      15.114                  2.133                 11.489
 ROA3   Fr= 1--    -115.815                 80.553               -356.069
 CID3   Fr= 1--      -7.663                 37.763                -30.994
 RC180  Fr= 1--       0.304                 -0.532                  0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     15.7336                 2.5341                14.8307
  Dep-P Fr= 1--      0.7318                 0.7417                 0.7153
  Dep-U Fr= 1--      0.8452                 0.8517                 0.8340
 Alpha2 Fr= 1--      0.0049                 0.0004                 0.0089
 Beta2  Fr= 1--      2.2162                 0.3597                 2.0615
 AlphaG Fr= 1--      0.0869                -0.0001                 0.1159
 Gamma2 Fr= 1--      7.1887                 4.3117                -6.4601
 Delta2 Fr= 1--      4.0407                 1.8749                -3.3990
 Raman1 Fr= 1--      62.934                 10.136                 59.323
 ROA1   Fr= 1--     819.417                473.921               -728.936
 CID1   Fr= 1--      13.020                 46.754                -12.288
 Raman2 Fr= 1--      26.595                  4.316                 24.738
 ROA2   Fr= 1--     140.203                 88.482               -127.850
 CID2   Fr= 1--       5.272                 20.499                 -5.168
 Raman3 Fr= 1--      53.190                  8.633                 49.476
 ROA3   Fr= 1--     819.417                473.921               -728.936
 CID3   Fr= 1--      15.406                 54.897                -14.733
 RC180  Fr= 1--       0.690                  0.703                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    196.0812               205.1657               154.5114
  Dep-P Fr= 1--      0.2121                 0.2418                 0.1699
  Dep-U Fr= 1--      0.3500                 0.3894                 0.2905
 Alpha2 Fr= 1--      2.5779                 2.4879                 2.2699
 Beta2  Fr= 1--     11.4392                13.3160                 7.4809
 AlphaG Fr= 1--     -3.5648                 1.8487                -0.5047
 Gamma2 Fr= 1--     -6.5071                 0.6933                -4.9228
 Delta2 Fr= 1--     10.1594                -8.6373                 0.1487
 Raman1 Fr= 1--     784.325                820.663                618.046
 ROA1   Fr= 1--    -299.578               -209.837               -467.829
 CID1   Fr= 1--      -0.382                 -0.256                 -0.757
 Raman2 Fr= 1--     137.271                159.792                 89.771
 ROA2   Fr= 1--    -237.444                 85.738               -119.337
 CID2   Fr= 1--      -1.730                  0.537                 -1.329
 Raman3 Fr= 1--     274.541                319.584                179.541
 ROA3   Fr= 1--    -299.578               -209.837               -467.829
 CID3   Fr= 1--      -1.091                 -0.657                 -2.606
 RC180  Fr= 1--      -0.300                 -0.221                 -0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    193.5327                28.7057                69.3646
  Dep-P Fr= 1--      0.1170                 0.0936                 0.6891
  Dep-U Fr= 1--      0.2095                 0.1712                 0.8159
 Alpha2 Fr= 1--      3.2493                 0.5105                 0.0741
 Beta2  Fr= 1--      6.7591                 0.8192                 9.4327
 AlphaG Fr= 1--      0.2956                -0.5170                 0.0939
 Gamma2 Fr= 1--      3.2769                -9.7941                33.3309
 Delta2 Fr= 1--     -3.7946                 0.5426                -1.0930
 Raman1 Fr= 1--     774.131                114.823                277.458
 ROA1   Fr= 1--     193.152               -922.870               3164.791
 CID1   Fr= 1--       0.250                 -8.037                 11.406
 Raman2 Fr= 1--      81.109                  9.830                113.192
 ROA2   Fr= 1--     109.001               -239.399                808.686
 CID2   Fr= 1--       1.344                -24.354                  7.144
 Raman3 Fr= 1--     162.218                 19.660                226.385
 ROA3   Fr= 1--     193.152               -922.870               3164.791
 CID3   Fr= 1--       1.191                -46.941                 13.980
 RC180  Fr= 1--      -0.581                 -0.658                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    372.4248               155.1057                90.0893
  Dep-P Fr= 1--      0.1356                 0.0298                 0.7499
  Dep-U Fr= 1--      0.2388                 0.0579                 0.8571
 Alpha2 Fr= 1--      5.9703                 3.2139                 0.0002
 Beta2  Fr= 1--     14.8231                 1.4971                12.8686
 AlphaG Fr= 1--      4.0863                 2.7723                -0.0265
 Gamma2 Fr= 1--     -1.5999                -8.8976                15.5754
 Delta2 Fr= 1--      7.8917               -11.2824                -0.1361
 Raman1 Fr= 1--    1489.699                620.423                360.357
 ROA1   Fr= 1--      98.947              -1215.205               1490.878
 CID1   Fr= 1--       0.066                 -1.959                  4.137
 Raman2 Fr= 1--     177.877                 17.965                154.424
 ROA2   Fr= 1--    -101.531               -123.283                374.898
 CID2   Fr= 1--      -0.571                 -6.862                  2.428
 Raman3 Fr= 1--     355.754                 35.931                308.847
 ROA3   Fr= 1--      98.947              -1215.205               1490.878
 CID3   Fr= 1--       0.278                -33.821                  4.827
 RC180  Fr= 1--      -0.522                 -0.884                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    136.1371                84.9328                28.8205
  Dep-P Fr= 1--      0.2876                 0.2065                 0.2123
  Dep-U Fr= 1--      0.4468                 0.3422                 0.3503
 Alpha2 Fr= 1--      1.4484                 1.1338                 0.3787
 Beta2  Fr= 1--     10.1367                 4.8447                 1.6826
 AlphaG Fr= 1--     -0.1663                -2.0359                -0.1094
 Gamma2 Fr= 1--    -33.4992               -13.1761                 2.3778
 Delta2 Fr= 1--     -3.8499                -2.1890                 2.9013
 Raman1 Fr= 1--     544.548                339.731                115.282
 ROA1   Fr= 1--   -3339.125              -1334.952                321.108
 CID1   Fr= 1--      -6.132                 -3.929                  2.785
 Raman2 Fr= 1--     121.640                 58.136                 20.191
 ROA2   Fr= 1--    -773.182               -298.714                 33.857
 CID2   Fr= 1--      -6.356                 -5.138                  1.677
 Raman3 Fr= 1--     243.281                116.272                 40.382
 ROA3   Fr= 1--   -3339.125              -1334.952                321.108
 CID3   Fr= 1--     -13.725                -11.481                  7.952
 RC180  Fr= 1--      -0.106                 -0.316                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    243.4161               239.2067               150.7728
  Dep-P Fr= 1--      0.1920                 0.2760                 0.4343
  Dep-U Fr= 1--      0.3221                 0.4327                 0.6056
 Alpha2 Fr= 1--      3.3763                 2.6325                 0.9834
 Beta2  Fr= 1--     13.0688                17.2489                15.2168
 AlphaG Fr= 1--      0.6416                 0.0217                 0.5729
 Gamma2 Fr= 1--     31.4586                32.8818               -32.8299
 Delta2 Fr= 1--     16.9285                11.8885               -23.6859
 Raman1 Fr= 1--     973.664                956.827                603.091
 ROA1   Fr= 1--    3561.741               3537.082              -3909.614
 CID1   Fr= 1--       3.658                  3.697                 -6.483
 Raman2 Fr= 1--     156.826                206.986                182.602
 ROA2   Fr= 1--     619.579                694.055               -598.430
 CID2   Fr= 1--       3.951                  3.353                 -3.277
 Raman3 Fr= 1--     313.652                413.973                365.203
 ROA3   Fr= 1--    3561.741               3537.082              -3909.614
 CID3   Fr= 1--      11.356                  8.544                -10.705
 RC180  Fr= 1--      -0.356                 -0.135                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--    100.2950                74.9519                46.5056
  Dep-P Fr= 1--      0.1699                 0.4024                 0.7151
  Dep-U Fr= 1--      0.2905                 0.5739                 0.8339
 Alpha2 Fr= 1--      1.4734                 0.5504                 0.0280
 Beta2  Fr= 1--      4.8562                 7.1691                 6.4636
 AlphaG Fr= 1--     -0.6261                 1.1064                -0.0326
 Gamma2 Fr= 1--    -19.4078                -2.3677               -19.3994
 Delta2 Fr= 1--     -2.1658               -15.4249                -8.3871
 Raman1 Fr= 1--     401.180                299.808                186.023
 ROA1   Fr= 1--   -1932.451               -720.895              -2130.733
 CID1   Fr= 1--      -4.817                 -2.405                -11.454
 Raman2 Fr= 1--      58.274                 86.030                 77.563
 ROA2   Fr= 1--    -448.460                 66.575               -398.489
 CID2   Fr= 1--      -7.696                  0.774                 -5.138
 Raman3 Fr= 1--     116.548                172.059                155.126
 ROA3   Fr= 1--   -1932.451               -720.895              -2130.733
 CID3   Fr= 1--     -16.581                 -4.190                -13.735
 RC180  Fr= 1--      -0.419                  0.148                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     51.1102                34.0797                47.3398
  Dep-P Fr= 1--      0.6698                 0.6332                 0.4596
  Dep-U Fr= 1--      0.8023                 0.7754                 0.6298
 Alpha2 Fr= 1--      0.0727                 0.0722                 0.2791
 Beta2  Fr= 1--      6.8340                 4.4043                 4.9687
 AlphaG Fr= 1--     -0.0322                 0.0070                -0.0289
 Gamma2 Fr= 1--     24.2221                42.8733                 5.1441
 Delta2 Fr= 1--      9.4874                16.4014                 1.2285
 Raman1 Fr= 1--     204.441                136.319                189.359
 ROA1   Fr= 1--    2628.919               4640.678                533.141
 CID1   Fr= 1--      12.859                 34.043                  2.816
 Raman2 Fr= 1--      82.008                 52.851                 59.625
 ROA2   Fr= 1--     505.431                897.748                113.630
 CID2   Fr= 1--       6.163                 16.986                  1.906
 Raman3 Fr= 1--     164.016                105.703                119.250
 ROA3   Fr= 1--    2628.919               4640.678                533.141
 CID3   Fr= 1--      16.028                 43.903                  4.471
 RC180  Fr= 1--       0.605                  0.551                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     46.0795                91.0045                92.7055
  Dep-P Fr= 1--      0.5109                 0.1817                 0.1685
  Dep-U Fr= 1--      0.6763                 0.3075                 0.2884
 Alpha2 Fr= 1--      0.2160                 1.2967                 1.3669
 Beta2  Fr= 1--      5.1940                 4.6644                 4.4563
 AlphaG Fr= 1--     -0.0361                -0.2220                -0.0813
 Gamma2 Fr= 1--     -2.4931                 0.8653                 3.9109
 Delta2 Fr= 1--     -3.4701                 0.3580                 1.4909
 Raman1 Fr= 1--     184.318                364.018                370.822
 ROA1   Fr= 1--    -350.381                 94.525                423.151
 CID1   Fr= 1--      -1.901                  0.260                  1.141
 Raman2 Fr= 1--      62.328                 55.973                 53.476
 ROA2   Fr= 1--     -32.074                 17.903                 81.933
 CID2   Fr= 1--      -0.515                  0.320                  1.532
 Raman3 Fr= 1--     124.655                111.945                106.952
 ROA3   Fr= 1--    -350.381                 94.525                423.151
 CID3   Fr= 1--      -2.811                  0.844                  3.956
 RC180  Fr= 1--       0.353                 -0.385                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.334467D+03 -0.344964D+00 -0.338487D+01
      2  -0.344964D+00  0.268312D+03  0.421458D+00
      3  -0.338487D+01  0.421458D+00  0.250057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.224599D+01 -0.140993D+01 -0.515844D+02
      2   0.393348D+00 -0.146732D+02 -0.202385D+01
      3   0.829033D+02 -0.511010D+01  0.165708D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.382380D+01 -0.985495D+02 -0.806149D+01
      2   0.845986D+01  0.190328D+03  0.121215D+00
      3  -0.463605D+01 -0.917787D+02  0.794027D+01
      4   0.268716D+02  0.161375D+02 -0.309189D+02
      5  -0.147586D+02 -0.271942D+02 -0.864273D+01
      6  -0.591554D+01 -0.113159D+02  0.884992D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.534117D+01  0.956630D+00  0.897786D+00  0.103016D+01 -0.179243D+01
      2   0.956630D+00 -0.719875D+00 -0.301408D-01 -0.179243D+01 -0.615928D+01
      3   0.897786D+00 -0.301408D-01  0.152070D+01  0.462635D+00  0.760531D+00
                 6             7             8             9            10 
      1   0.462635D+00  0.326209D+01  0.981065D+00  0.336102D-01  0.961944D+01
      2   0.760531D+00  0.981065D+00  0.731506D+00 -0.462018D+00  0.331073D+01
      3   0.710665D+00  0.336102D-01 -0.462018D+00  0.367624D+01 -0.459235D+00
                11            12            13            14            15 
      1   0.331073D+01 -0.459235D+00  0.100826D+02  0.356170D+01 -0.327184D+01
      2   0.512595D+01 -0.187630D+01  0.356170D+01  0.460618D+00  0.247423D+00
      3  -0.187630D+01  0.115648D+01 -0.327184D+01  0.247423D+00  0.196245D+01
                16            17            18            19            20 
      1  -0.566917D+01  0.587717D-01  0.302844D+01  0.140002D+02 -0.299787D+01
      2   0.587717D-01 -0.270588D+01  0.135739D+01 -0.299787D+01  0.251028D+01
      3   0.302844D+01  0.135739D+01 -0.193014D+01  0.485963D+01 -0.148049D+01
                21            22            23            24            25 
      1   0.485963D+01 -0.976632D+01  0.588572D+00  0.357985D+01  0.438717D+01
      2  -0.148049D+01  0.588572D+00 -0.707830D+00 -0.339262D+00  0.262489D+01
      3   0.278984D+01  0.357985D+01 -0.339262D+00 -0.627785D+00 -0.192135D+01
                26            27            28            29            30 
      1   0.262489D+01 -0.192135D+01 -0.659542D+01  0.741980D+00 -0.333692D+01
      2  -0.275112D+01 -0.133894D+00  0.741980D+00  0.574629D+00  0.111184D+01
      3  -0.133894D+00  0.383611D+00 -0.333692D+01  0.111184D+01 -0.320877D+01
                31            32            33            34            35 
      1   0.179754D+01 -0.141528D+01  0.544244D+00 -0.533352D+01  0.135901D+01
      2  -0.141528D+01  0.511942D+01 -0.440461D+00  0.135901D+01  0.816430D+00
      3   0.544244D+00 -0.440461D+00 -0.571277D+00 -0.522763D+01 -0.447976D+00
                36            37            38            39            40 
      1  -0.522763D+01 -0.678555D+01  0.462833D+01  0.913939D+00  0.548786D+01
      2  -0.447976D+00  0.462833D+01 -0.855911D+00 -0.208417D+00 -0.976239D+00
      3  -0.174445D+01  0.913939D+00 -0.208417D+00  0.278867D+01 -0.139022D+00
                41            42            43            44            45 
      1  -0.976239D+00 -0.139022D+00 -0.105968D+00 -0.541710D-01  0.348312D+01
      2  -0.219342D+01  0.826315D+00 -0.541710D-01  0.732179D+00  0.191037D+01
      3   0.826315D+00  0.185057D+01  0.348312D+01  0.191037D+01  0.493516D+00
                46            47            48            49            50 
      1   0.216468D+01 -0.348397D+01  0.491506D+00 -0.599633D+01 -0.110048D+01
      2  -0.348397D+01 -0.549048D+00  0.319124D+00 -0.110048D+01  0.244637D+01
      3   0.491506D+00  0.319124D+00 -0.357360D+01  0.456075D+00 -0.493956D+00
                51            52            53            54            55 
      1   0.456075D+00  0.220258D+01  0.415273D+00 -0.629543D+01  0.357256D+01
      2  -0.493956D+00  0.415273D+00 -0.454981D+00 -0.310348D+01  0.174729D+01
      3  -0.252753D+01 -0.629543D+01 -0.310348D+01  0.804161D+00  0.713203D+00
                56            57            58            59            60 
      1   0.174729D+01  0.713203D+00 -0.115822D+01 -0.439876D+00  0.169572D+01
      2  -0.253375D+01  0.414099D+00 -0.439876D+00  0.111528D+01 -0.149324D+00
      3   0.414099D+00  0.481721D+01  0.169572D+01 -0.149324D+00 -0.110175D+01
                61            62            63            64            65 
      1   0.496908D+01 -0.176285D+01  0.628884D+01 -0.150860D+01 -0.109431D+01
      2  -0.176285D+01  0.122681D+01  0.838312D+00 -0.109431D+01  0.290447D+00
      3   0.628884D+01  0.838312D+00  0.693995D+01  0.159209D+01  0.177298D+01
                66            67            68            69            70 
      1   0.159209D+01  0.146661D+01  0.101691D+01  0.158856D+00 -0.675590D+00
      2   0.177298D+01  0.101691D+01 -0.112020D+01  0.132439D+01 -0.899361D+00
      3   0.665643D+00  0.158856D+00  0.132439D+01  0.433813D+01  0.193602D+01
                71            72            73            74            75 
      1  -0.899361D+00  0.193602D+01 -0.535057D+01  0.148233D+01 -0.183777D+00
      2   0.443337D+01  0.292412D+01  0.148233D+01 -0.118697D+01  0.344730D+01
      3   0.292412D+01  0.810133D+01 -0.183777D+00  0.344730D+01  0.266253D+00
                76            77            78            79            80 
      1   0.117529D+01  0.378827D+00 -0.618138D+00 -0.963138D-02  0.237890D+01
      2   0.378827D+00  0.123430D+02  0.144933D+01  0.237890D+01  0.151251D+01
      3  -0.618138D+00  0.144933D+01  0.165596D+01 -0.940052D+00  0.594519D+00
                81            82            83            84            85 
      1  -0.940052D+00  0.716858D+00 -0.273247D+01 -0.184028D+01 -0.107802D+01
      2   0.594519D+00 -0.273247D+01 -0.449722D+01 -0.678272D+00 -0.290676D+01
      3  -0.246456D+01 -0.184028D+01 -0.678272D+00  0.177016D+01  0.326000D+00
                86            87            88            89            90 
      1  -0.290676D+01  0.326000D+00 -0.135550D+01 -0.274915D-01  0.245290D+01
      2  -0.755270D+01 -0.128143D+01 -0.274915D-01  0.102387D+01 -0.112609D+01
      3  -0.128143D+01  0.394662D-01  0.245290D+01 -0.112609D+01  0.555966D+00
                91            92            93            94            95 
      1  -0.853941D+00 -0.263353D+01  0.187598D+01 -0.668604D+00  0.268139D+01
      2  -0.263353D+01  0.437637D+01 -0.842707D+00  0.268139D+01 -0.742971D+01
      3   0.187598D+01 -0.842707D+00 -0.175329D+01  0.129462D+00  0.144933D+01
                96            97            98            99           100 
      1   0.129462D+00  0.838123D+00 -0.184352D+00 -0.241947D+01  0.694335D+01
      2   0.144933D+01 -0.184352D+00 -0.945341D+00 -0.116275D+01  0.894983D+00
      3   0.211695D-01 -0.241947D+01 -0.116275D+01 -0.553305D+00  0.156734D-01
               101           102           103           104           105 
      1   0.894983D+00  0.156734D-01  0.778243D-01  0.452538D+00 -0.533647D+00
      2   0.184797D+01  0.294532D+01  0.452538D+00  0.115871D+02 -0.144239D+01
      3   0.294532D+01 -0.294430D+00 -0.533647D+00 -0.144239D+01  0.147595D+01
               106           107           108           109           110 
      1   0.568841D+00  0.246654D+01  0.106655D+01 -0.956100D+01  0.392050D+01
      2   0.246654D+01 -0.144952D+01  0.104435D+01  0.392050D+01 -0.610126D+01
      3   0.106655D+01  0.104435D+01  0.246277D+01 -0.548759D-01 -0.153728D+01
               111           112           113           114           115 
      1  -0.548759D-01  0.993880D+01 -0.432367D+01 -0.227868D+01  0.661780D+01
      2  -0.153728D+01 -0.432367D+01  0.765633D+00  0.220586D-01 -0.192792D+00
      3  -0.463150D+00 -0.227868D+01  0.220586D-01  0.172744D+01 -0.308860D+01
               116           117           118           119           120 
      1  -0.192792D+00 -0.308860D+01 -0.151127D+02 -0.292998D+01 -0.502824D+01
      2   0.270185D+01  0.122918D+01 -0.292998D+01 -0.278039D+01 -0.122002D+01
      3   0.122918D+01  0.142007D+01 -0.502824D+01 -0.122002D+01 -0.325069D+01
               121           122           123           124           125 
      1  -0.851557D+01 -0.432976D+00  0.352047D+01 -0.437077D+01  0.262255D+01
      2  -0.432976D+00 -0.466104D+00  0.198784D+00  0.262255D+01  0.249133D+01
      3   0.352047D+01  0.198784D+00 -0.853962D+00  0.157491D+01 -0.229317D+00
               126           127           128           129           130 
      1   0.157491D+01 -0.249126D+01  0.234016D+01  0.259991D+00 -0.548715D+00
      2  -0.229317D+00  0.234016D+01  0.270009D+01  0.621754D+00  0.761044D+00
      3  -0.897234D+00  0.259991D+00  0.621754D+00 -0.467907D+01  0.170848D+01
               131           132           133           134           135 
      1   0.761044D+00  0.170848D+01 -0.514938D+01 -0.194620D+01 -0.619345D+01
      2   0.878852D+00  0.305750D+00 -0.194620D+01 -0.875136D+00  0.837555D+00
      3   0.305750D+00 -0.830410D+00 -0.619345D+01  0.837555D+00 -0.749037D+01
               136           137           138           139           140 
      1   0.438714D+00 -0.114278D+01 -0.142553D+01  0.138315D+01 -0.144067D+01
      2  -0.114278D+01 -0.235726D-01  0.154210D+01 -0.144067D+01 -0.116657D+01
      3  -0.142553D+01  0.154210D+01 -0.449641D+00 -0.239120D+00 -0.172945D+01
               141           142           143           144           145 
      1  -0.239120D+00 -0.995246D-01 -0.131777D+01 -0.161558D+01  0.437231D+01
      2  -0.172945D+01 -0.131777D+01 -0.443035D+01  0.264300D+01 -0.230363D+01
      3   0.421907D+01 -0.161558D+01  0.264300D+01 -0.814972D+01 -0.799121D+00
               146           147           148           149           150 
      1  -0.230363D+01 -0.799121D+00 -0.512044D+01  0.627610D+01 -0.781679D+00
      2   0.343290D+01 -0.147449D+01  0.627610D+01 -0.527494D+01 -0.393128D+00
      3  -0.147449D+01 -0.113615D+01 -0.781679D+00 -0.393128D+00 -0.124557D+01
               151           152           153           154           155 
      1  -0.150620D+01 -0.258893D+01 -0.387249D+00  0.536421D+00 -0.241487D+01
      2  -0.258893D+01  0.785628D-01 -0.205701D+01 -0.241487D+01 -0.563689D+00
      3  -0.387249D+00 -0.205701D+01 -0.153210D+01 -0.233936D+01  0.334369D+01
               156           157           158           159           160 
      1  -0.233936D+01 -0.389163D+01 -0.409792D+00  0.427683D+01 -0.232608D+01
      2   0.334369D+01 -0.409792D+00  0.732608D+00 -0.143815D+01  0.387607D+01
      3   0.163635D+01  0.427683D+01 -0.143815D+01  0.628181D+00  0.185368D+01
               161           162           163           164           165 
      1   0.387607D+01  0.185368D+01  0.462933D+01  0.292737D+01  0.634242D+00
      2  -0.136064D+01  0.101929D+01  0.292737D+01  0.142715D+01 -0.289977D+01
      3   0.101929D+01 -0.127158D+01  0.634242D+00 -0.289977D+01 -0.461425D+00
               166           167           168           169           170 
      1   0.505625D+01  0.259418D+01 -0.427036D+01  0.684432D+00 -0.437482D+01
      2   0.259418D+01 -0.458178D+00  0.853239D+00 -0.437482D+01  0.678286D+00
      3  -0.427036D+01  0.853239D+00 -0.177880D+01  0.356281D+00 -0.193507D+01
               171           172           173           174           175 
      1   0.356281D+00  0.356263D+01  0.262935D+00  0.537932D+00  0.288832D+01
      2  -0.193507D+01  0.262935D+00  0.543265D+00  0.239300D+01  0.241359D+01
      3   0.510348D+00  0.537932D+00  0.239300D+01  0.194961D+01  0.279328D+01
               176           177           178           179           180 
      1   0.241359D+01  0.279328D+01 -0.286786D+00  0.216936D+01  0.312949D+01
      2   0.313354D+01 -0.408909D+00  0.216936D+01 -0.845718D+00  0.292992D+01
      3  -0.408909D+00  0.215074D+01  0.312949D+01  0.292992D+01  0.271854D+01
               181           182           183           184           185 
      1  -0.426382D+00 -0.642040D+01  0.283520D+00  0.583578D+00 -0.376988D+00
      2  -0.642040D+01 -0.386409D+00 -0.233452D+01 -0.376988D+00 -0.979481D+01
      3   0.283520D+00 -0.233452D+01 -0.827079D-01 -0.117244D+01  0.223572D+00
               186           187           188           189           190 
      1  -0.117244D+01 -0.600025D-01 -0.338817D+01  0.850682D-01  0.846858D+01
      2   0.223572D+00 -0.338817D+01  0.191480D+00 -0.475187D+01 -0.123133D+01
      3  -0.170613D+01  0.850682D-01 -0.475187D+01  0.414134D+00 -0.197151D+00
               191           192           193           194           195 
      1  -0.123133D+01 -0.197151D+00 -0.418070D+01  0.118160D+01 -0.523347D+00
      2   0.356311D+00  0.531999D+00  0.118160D+01 -0.999484D+01 -0.225453D+01
      3   0.531999D+00  0.138080D+01 -0.523347D+00 -0.225453D+01 -0.263531D+01
               196           197           198           199           200 
      1  -0.340775D+01  0.683048D+00  0.396974D+00 -0.891581D+01 -0.643271D+00
      2   0.683048D+00 -0.159653D+01 -0.294376D+01 -0.643271D+00 -0.713121D+00
      3   0.396974D+00 -0.294376D+01 -0.661611D+01  0.219910D+00  0.397326D+00
               201           202           203           204           205 
      1   0.219910D+00 -0.328531D+01 -0.150551D+01 -0.282054D+00  0.303755D+01
      2   0.397326D+00 -0.150551D+01 -0.900570D+01  0.243689D+01  0.653172D+00
      3  -0.157643D+01 -0.282054D+00  0.243689D+01 -0.237409D+01 -0.720778D+00
               206           207           208           209           210 
      1   0.653172D+00 -0.720778D+00 -0.222769D+01  0.103058D+01  0.246133D+01
      2   0.166636D+01 -0.261527D+01  0.103058D+01 -0.770941D+00 -0.136119D+01
      3  -0.261527D+01  0.711844D+01  0.246133D+01 -0.136119D+01 -0.418115D+01
               211           212           213           214           215 
      1   0.951778D+00 -0.504106D+00 -0.627257D+00  0.223810D+01 -0.361102D+00
      2  -0.504106D+00  0.638191D+00  0.442138D+00 -0.361102D+00  0.686813D+00
      3  -0.627257D+00  0.442138D+00 -0.830158D-01 -0.233624D+01  0.214763D+00
               216           217           218           219           220 
      1  -0.233624D+01  0.234731D+00 -0.396183D+00 -0.322286D-01 -0.106737D+01
      2   0.214763D+00 -0.396183D+00  0.313814D+00 -0.329059D-01  0.898784D+00
      3   0.376226D+01 -0.322286D-01 -0.329059D-01 -0.907333D+00 -0.119744D+01
               221           222           223           224           225 
      1   0.898784D+00 -0.119744D+01  0.489863D+00 -0.234672D+00 -0.751637D-01
      2  -0.332333D+01  0.340932D+01 -0.234672D+00  0.222202D+01 -0.263989D+01
      3   0.340932D+01 -0.447290D+01 -0.751637D-01 -0.263989D+01  0.408910D+01
               226           227           228           229           230 
      1  -0.149076D+01 -0.546158D+00 -0.709214D+00 -0.163731D+01 -0.122008D+00
      2  -0.546158D+00 -0.426523D+00  0.207946D+00 -0.122008D+00  0.731194D+00
      3  -0.709214D+00  0.207946D+00 -0.932893D+00  0.375810D-02 -0.671100D+00
               231           232           233           234           235 
      1   0.375810D-02 -0.377839D+01 -0.654352D+00  0.898870D+00 -0.272060D+00
      2  -0.671100D+00 -0.654352D+00 -0.116785D+01  0.116280D+01  0.106848D+01
      3  -0.554955D+00  0.898870D+00  0.116280D+01 -0.544330D+01  0.125904D+00
               236           237           238           239           240 
      1   0.106848D+01  0.125904D+00  0.318161D+01  0.182190D+01 -0.731089D+00
      2   0.660063D+00 -0.758180D-01  0.182190D+01  0.867744D+01 -0.125284D+01
      3  -0.758180D-01 -0.263554D+00 -0.731089D+00 -0.125284D+01  0.818981D+00
               241           242           243           244           245 
      1   0.756954D-01  0.125382D-01  0.110793D+00  0.578094D+01  0.204362D+01
      2   0.125382D-01  0.833662D-01  0.896853D+00  0.204362D+01  0.123830D+01
      3   0.110793D+00  0.896853D+00 -0.425092D+00 -0.329434D+01 -0.104224D+01
               246           247           248           249           250 
      1  -0.329434D+01  0.249279D+01  0.182434D+01 -0.117944D+01 -0.585759D+01
      2  -0.104224D+01  0.182434D+01  0.116090D+01 -0.134236D+01 -0.180585D+01
      3   0.246411D+01 -0.117944D+01 -0.134236D+01  0.135452D+01  0.484015D+01
               251           252           253           254           255 
      1  -0.180585D+01  0.484015D+01  0.411700D+01  0.193582D+01  0.173416D+01
      2  -0.169241D+01  0.217693D+01  0.193582D+01  0.123996D+01  0.630189D+00
      3   0.217693D+01 -0.470434D+01  0.173416D+01  0.630189D+00  0.149584D+01
               256           257           258           259           260 
      1   0.285424D+01  0.178946D+01  0.749448D+00  0.421358D+01  0.154851D+01
      2   0.178946D+01  0.147733D+01  0.104917D+01  0.154851D+01  0.189240D+01
      3   0.749448D+00  0.104917D+01  0.111482D+01  0.287866D+01  0.166642D+01
               261           262           263           264           265 
      1   0.287866D+01 -0.238901D+01 -0.141559D+01 -0.933160D+00 -0.195050D+01
      2   0.166642D+01 -0.141559D+01 -0.478730D+00 -0.200849D+00 -0.152134D+00
      3   0.287889D+01 -0.933160D+00 -0.200849D+00 -0.124758D+01  0.227759D-01
               266           267           268           269           270 
      1  -0.152134D+00  0.227759D-01 -0.164641D+01 -0.145227D+00 -0.297611D+00
      2  -0.794378D+00 -0.883270D+00 -0.145227D+00 -0.165446D+01 -0.152078D+01
      3  -0.883270D+00 -0.116676D+01 -0.297611D+00 -0.152078D+01 -0.357028D+01
               271           272           273           274           275 
      1   0.127771D+02 -0.412135D+01 -0.160972D+01 -0.411582D+01  0.287325D+01
      2  -0.412135D+01  0.238150D+01  0.357320D+00  0.287325D+01 -0.176907D+01
      3  -0.160972D+01  0.357320D+00  0.763173D+00  0.567953D+00 -0.387372D+00
               276           277           278           279           280 
      1   0.567953D+00 -0.509774D+00  0.277645D+00  0.117184D+01  0.815680D+01
      2  -0.387372D+00  0.277645D+00 -0.160545D+00 -0.741002D+00 -0.130196D+01
      3  -0.592719D+00  0.117184D+01 -0.741002D+00 -0.332540D+00  0.372705D+01
               281           282           283           284           285 
      1  -0.130196D+01  0.372705D+01  0.331030D+00  0.130487D+01 -0.326042D-01
      2   0.742417D+00 -0.813946D+00  0.130487D+01 -0.868834D+00  0.753703D+00
      3  -0.813946D+00  0.295924D+01 -0.326042D-01  0.753703D+00  0.306946D+00
               286           287           288           289           290 
      1   0.706618D+01 -0.181063D+01  0.471347D+01 -0.154496D+00 -0.103345D+01
      2  -0.181063D+01  0.111449D+01 -0.105876D+01 -0.103345D+01 -0.365799D+00
      3   0.471347D+01 -0.105876D+01  0.492191D+01  0.715298D-01  0.183708D+00
               291           292           293           294           295 
      1   0.715298D-01 -0.310006D+01  0.208908D+01 -0.178622D+00  0.534357D+00
      2   0.183708D+00  0.208908D+01 -0.733453D+01  0.974059D+00 -0.332700D+00
      3   0.226116D+00 -0.178622D+00  0.974059D+00 -0.878289D+00  0.920279D+00
               296           297           298           299           300 
      1  -0.332700D+00  0.920279D+00  0.257841D+01  0.317152D+01  0.962939D+00
      2   0.220904D+00 -0.616890D+00  0.317152D+01  0.620606D+01  0.111708D+01
      3  -0.616890D+00  0.692016D+00  0.962939D+00  0.111708D+01  0.609452D+00
               301           302           303           304           305 
      1   0.232650D+01  0.295296D+01  0.699276D+00  0.532939D+00  0.621035D+00
      2   0.295296D+01  0.107037D+02  0.161451D+01  0.621035D+00  0.742099D+00
      3   0.699276D+00  0.161451D+01  0.111392D+01  0.402799D+00  0.171686D+01
               306           307           308           309           310 
      1   0.402799D+00 -0.388200D+01  0.119839D+01  0.147890D+01  0.236502D+00
      2   0.171686D+01  0.119839D+01 -0.153517D+01 -0.109042D+01 -0.770201D+00
      3   0.643008D+00  0.147890D+01 -0.109042D+01 -0.178442D+01 -0.492005D+00
               311           312           313           314           315 
      1  -0.770201D+00 -0.492005D+00  0.172035D+01 -0.988971D+00 -0.154363D+01
      2   0.169159D+01  0.112511D+01 -0.988971D+00  0.219867D+01  0.151078D+01
      3   0.112511D+01  0.814819D+00 -0.154363D+01  0.151078D+01  0.262857D+01
               316           317           318           319           320 
      1   0.380395D+01  0.114473D+01 -0.172322D+01  0.893807D-01  0.729160D+00
      2   0.114473D+01  0.153768D+01 -0.103571D+01  0.729160D+00  0.147261D+01
      3  -0.172322D+01 -0.103571D+01  0.186257D+01 -0.338616D+00 -0.108104D+01
               321           322           323           324           325 
      1  -0.338616D+00 -0.142831D+01 -0.104386D+01  0.149397D+01 -0.245980D+01
      2  -0.108104D+01 -0.104386D+01 -0.206189D+01  0.148622D+01  0.298852D+01
      3   0.735668D+00  0.149397D+01  0.148622D+01 -0.266247D+01 -0.972596D+00
               326           327           328           329           330 
      1   0.298852D+01 -0.972596D+00  0.217393D+01 -0.278278D+01  0.745472D+00
      2  -0.614501D+01  0.123227D+01 -0.278278D+01  0.106585D+02 -0.176174D+01
      3   0.123227D+01 -0.643661D+00  0.745472D+00 -0.176174D+01  0.117722D+01
               331           332           333           334           335 
      1  -0.504717D+00  0.679028D+00 -0.405223D+00  0.400544D+01  0.113247D+01
      2   0.679028D+00 -0.924326D+00  0.174465D+01  0.113247D+01  0.725946D+00
      3  -0.405223D+00  0.174465D+01 -0.720572D+00 -0.258181D+01 -0.121831D+01
               336           337           338           339           340 
      1  -0.258181D+01  0.110457D+01  0.549336D+00 -0.481617D+00 -0.195757D+01
      2  -0.121831D+01  0.549336D+00  0.579517D+00 -0.402590D+00 -0.273931D+00
      3   0.406848D+01 -0.481617D+00 -0.402590D+00 -0.298047D+00  0.229306D+01
               341           342           343           344           345 
      1  -0.273931D+00  0.229306D+01 -0.207306D+00 -0.426932D+00 -0.101753D+00
      2  -0.653066D+00  0.732605D-01 -0.426932D+00 -0.340823D+00 -0.371269D-01
      3   0.732605D-01 -0.344797D+01 -0.101753D+00 -0.371269D-01  0.945884D+00
               346           347           348           349           350 
      1  -0.104740D+01 -0.809682D+00 -0.110081D+01 -0.473215D+00 -0.189333D+00
      2  -0.809682D+00 -0.330032D+01 -0.338885D+01 -0.189333D+00 -0.228751D+01
      3  -0.110081D+01 -0.338885D+01 -0.450390D+01  0.154089D+00 -0.265101D+01
               351           352           353           354           355 
      1   0.154089D+00 -0.481922D+01  0.286445D+01  0.917638D-01  0.525671D+01
      2  -0.265101D+01  0.286445D+01 -0.321186D+01  0.335208D+00 -0.495542D+01
      3  -0.387054D+01  0.917638D-01  0.335208D+00 -0.274258D+00 -0.405038D+00
               356           357           358           359           360 
      1  -0.495542D+01 -0.405038D+00 -0.216293D+01  0.175158D+01 -0.450830D+00
      2   0.763065D+01 -0.795099D-01  0.175158D+01 -0.208681D+01  0.118295D+01
      3  -0.795099D-01  0.987698D+00 -0.450830D+00  0.118295D+01 -0.591323D+00
               361           362           363           364           365 
      1   0.352819D+01  0.753179D+00  0.762231D+00  0.174727D+01 -0.293637D+00
      2   0.753179D+00  0.713270D+00  0.833066D+00 -0.293637D+00  0.226558D+01
      3   0.762231D+00  0.833066D+00  0.105820D+01  0.688122D-01  0.133947D+01
               366           367           368           369           370 
      1   0.688122D-01  0.212963D+01  0.618520D+00 -0.856409D-02 -0.766510D+01
      2   0.133947D+01  0.618520D+00  0.174545D+01  0.227626D+01  0.245668D+01
      3   0.120313D+01 -0.856409D-02  0.227626D+01  0.365548D+01  0.383281D+01
               371           372           373           374           375 
      1   0.245668D+01  0.383281D+01  0.375312D+01 -0.221135D+01 -0.225032D+01
      2  -0.143144D+01 -0.170728D+01 -0.221135D+01  0.199760D+01  0.175897D+01
      3  -0.170728D+01 -0.286610D+01 -0.225032D+01  0.175897D+01  0.171527D+01
               376           377           378           379           380 
      1   0.375429D+01 -0.155382D+01 -0.352522D+01  0.187968D+01 -0.731601D+00
      2  -0.155382D+01  0.116417D+01  0.140660D+01 -0.731601D+00  0.639492D+00
      3  -0.352522D+01  0.140660D+01  0.348443D+01  0.944387D+00 -0.613837D+00
               381           382           383           384           385 
      1   0.944387D+00 -0.140447D+01  0.389036D+00 -0.649128D+00  0.164996D+01
      2  -0.613837D+00  0.389036D+00 -0.174663D+01  0.134553D+01 -0.561638D+00
      3   0.454210D+00 -0.649128D+00  0.134553D+01 -0.181607D+01 -0.293197D+00
               386           387           388           389           390 
      1  -0.561638D+00 -0.293197D+00 -0.105776D+02 -0.361951D+01  0.123746D+01
      2   0.135502D+01 -0.119028D+01 -0.361951D+01 -0.201196D+01  0.582023D+00
      3  -0.119028D+01  0.313672D+01  0.123746D+01  0.582023D+00 -0.848045D+00
               391           392           393           394           395 
      1  -0.599612D+01 -0.337481D+01  0.106751D+01  0.300144D+01  0.144726D+01
      2  -0.337481D+01 -0.254392D+01  0.307156D+00  0.144726D+01  0.605226D+00
      3   0.106751D+01  0.307156D+00 -0.485397D+00 -0.170831D+01 -0.457869D+00
               396           397           398           399           400 
      1  -0.170831D+01 -0.445614D+01  0.129834D+01 -0.180729D+01  0.318379D+01
      2  -0.457869D+00  0.129834D+01 -0.105909D+01  0.810264D+00 -0.236257D+01
      3   0.817236D+00 -0.180729D+01  0.810264D+00 -0.110828D+01  0.189788D+01
               401           402           403           404           405 
      1  -0.236257D+01  0.189788D+01 -0.366216D+01  0.163085D+01 -0.221245D+01
      2   0.245295D+01 -0.137843D+01  0.163085D+01 -0.135088D+01  0.139403D+01
      3  -0.137843D+01  0.188920D+01 -0.221245D+01  0.139403D+01 -0.278416D+01
               406           407           408           409           410 
      1   0.100228D+01 -0.131783D+01  0.912682D+00 -0.394580D+01 -0.167008D+01
      2  -0.131783D+01  0.192429D+00  0.416754D-01 -0.167008D+01 -0.524517D+01
      3   0.912682D+00  0.416754D-01  0.198527D+00 -0.226889D+00  0.562615D+00
               411           412           413           414           415 
      1  -0.226889D+00  0.306586D+01  0.209248D+00 -0.235705D+00 -0.334606D+01
      2   0.562615D+00  0.209248D+00  0.148084D+01 -0.127538D+01 -0.136102D+01
      3  -0.108211D+01 -0.235705D+00 -0.127538D+01  0.499273D+00 -0.220874D+01
               416           417           418           419           420 
      1  -0.136102D+01 -0.220874D+01 -0.217654D+01 -0.199919D+01 -0.147358D+01
      2  -0.108775D+01 -0.135923D+01 -0.199919D+01 -0.246975D+01 -0.177925D+01
      3  -0.135923D+01 -0.186091D+01 -0.147358D+01 -0.177925D+01 -0.182519D+01
               421           422           423 
      1  -0.470295D+01 -0.239184D+01 -0.366212D+01
      2  -0.239184D+01 -0.234103D+01 -0.311701D+01
      3  -0.366212D+01 -0.311701D+01 -0.560582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.713180D+01  0.563456D+00 -0.381827D+01  0.324131D+01  0.664274D+01
      2   0.373503D+00  0.256077D+01  0.111302D+02  0.878033D+01  0.478534D+01
      3  -0.191856D+02  0.428674D+01  0.290661D+01  0.152150D+02  0.195775D+02
                 6             7             8             9            10 
      1  -0.520031D+01  0.185916D+01  0.650163D+01 -0.119384D+02  0.414602D+00
      2   0.393979D+01 -0.960434D+01 -0.340983D+01  0.234020D+02 -0.207911D+02
      3  -0.246598D+01  0.212215D+01  0.193107D+01  0.795809D+00  0.118050D+02
                11            12            13            14            15 
      1   0.158049D+02 -0.179156D+01  0.268824D+02 -0.488668D+01 -0.437624D+01
      2  -0.139101D+02  0.158308D+01 -0.384108D+02 -0.585815D+01  0.135767D+02
      3  -0.129346D+02  0.668288D+01  0.420417D+01  0.101526D+02 -0.111612D+02
                16            17            18            19            20 
      1   0.192987D+01 -0.875763D+01  0.101345D+02 -0.894734D+01  0.111674D+02
      2   0.835669D+01  0.197914D+01 -0.182716D+02 -0.275262D+02  0.138986D+01
      3  -0.520599D+01  0.628570D+01  0.221310D+01  0.169075D+02 -0.102644D+02
                21            22            23            24            25 
      1  -0.886027D+01 -0.321230D+01 -0.607476D+00 -0.219244D+01  0.734212D+01
      2  -0.591692D+01  0.308746D+02 -0.104768D+02 -0.155155D+02 -0.352388D+02
      3   0.792172D+01 -0.168998D+01  0.100975D+01  0.131979D+02  0.315034D+01
                26            27            28            29            30 
      1  -0.616290D+01 -0.173265D+01 -0.110160D+01  0.253702D+01 -0.322269D+01
      2  -0.675699D+01  0.667868D+01 -0.500021D+00  0.116147D+01 -0.602490D+01
      3   0.151362D+02 -0.559971D+01  0.302337D+01 -0.547802D+01 -0.364325D+00
                31            32            33            34            35 
      1   0.103028D+01  0.958439D+01 -0.541113D+01 -0.870083D+01  0.112793D+01
      2  -0.346223D+01  0.433242D+01 -0.529574D+01 -0.174447D+02 -0.341886D+01
      3   0.129289D+02 -0.267081D+02 -0.107218D+01  0.369089D+00 -0.645302D+01
                36            37            38            39            40 
      1  -0.300602D+00 -0.406314D+01  0.314077D+00  0.256375D+01  0.438060D+00
      2   0.103722D+01 -0.267521D+01  0.282846D+01  0.182676D+02  0.221853D+01
      3   0.888349D+01 -0.205319D+02 -0.243183D+01  0.527914D+00  0.818563D+00
                41            42            43            44            45 
      1   0.275973D+01 -0.132161D+01  0.340491D+01  0.336121D+01 -0.236236D+01
      2   0.508167D+01  0.102960D+02  0.188349D+02  0.109491D+02  0.471596D+01
      3   0.158022D+02 -0.524219D+01 -0.128168D+01 -0.460755D+01 -0.128594D+02
                46            47            48            49            50 
      1   0.490095D+01 -0.258499D+00  0.355426D+01 -0.219489D+01 -0.360070D+01
      2   0.578715D+01 -0.128420D+01 -0.183500D+02 -0.148274D+01 -0.418584D+01
      3   0.254806D+02 -0.416651D+01 -0.185329D+01 -0.174539D+01 -0.166159D+02
                51            52            53            54            55 
      1   0.251305D+01  0.683608D+01  0.707609D+01  0.117100D+01  0.316087D+01
      2  -0.120318D+02 -0.378011D+02 -0.162001D+02  0.191713D+00 -0.118366D+02
      3   0.470257D+01  0.817970D+00  0.322765D+01  0.822825D+01  0.178188D+02
                56            57            58            59            60 
      1  -0.103602D+02  0.341232D+01 -0.977412D+01 -0.405757D+01 -0.307427D+01
      2  -0.311951D+01  0.155190D+02  0.168524D+02  0.502417D+01 -0.546586D+01
      3   0.569680D+01 -0.432934D+01  0.199407D+01  0.261737D+01  0.350662D+01
                61            62            63            64            65 
      1  -0.135694D+02  0.102396D+02 -0.658649D+01 -0.711191D+01 -0.623584D+01
      2   0.759387D+01  0.542803D+01  0.645065D+01  0.236828D+02  0.716160D+01
      3   0.270416D+01 -0.728463D+01  0.826011D+01 -0.157593D+02 -0.144423D+01
                66            67            68            69            70 
      1  -0.921277D-01  0.407009D+01 -0.116462D+02  0.468232D+01 -0.705755D+01
      2   0.414988D+01 -0.260857D+01  0.506635D+01  0.561710D+01  0.339680D+01
      3  -0.752656D+00  0.328935D+01  0.754658D+01 -0.120741D+02 -0.133801D+01
                71            72            73            74            75 
      1   0.962462D+01 -0.860072D+01  0.242795D+02 -0.138654D+02  0.104516D+02
      2   0.819522D+01  0.123976D+02  0.316210D+01 -0.189836D+01  0.401092D+01
      3  -0.677065D+01 -0.933913D+00 -0.246730D+02  0.288664D+01 -0.886975D+01
                76            77            78            79            80 
      1   0.691139D+01  0.393550D+02  0.341804D+01  0.109977D+02  0.756836D+01
      2  -0.760164D+01  0.606142D+01  0.605874D+01  0.227821D+01  0.508594D+01
      3  -0.169124D+01 -0.321771D+02 -0.623639D+01 -0.123118D+02  0.274454D+01
                81            82            83            84            85 
      1   0.165971D+02  0.295811D+01 -0.878540D+00 -0.122525D+02 -0.844054D+01
      2  -0.435851D+01 -0.236912D+01  0.348156D+01  0.558409D+01  0.185343D+01
      3  -0.147428D+02  0.773338D+01 -0.158061D+02 -0.682817D+01 -0.153394D+00
                86            87            88            89            90 
      1  -0.119404D+02 -0.523152D+01 -0.155734D+02  0.662162D+01 -0.107275D+02
      2  -0.375214D+00  0.866748D+00  0.157647D+01  0.167579D+01 -0.299115D+01
      3  -0.359449D+01  0.410503D+01 -0.688243D+01  0.651359D+00  0.143188D+02
                91            92            93            94            95 
      1  -0.267072D+01  0.475360D-01  0.123298D+02 -0.737536D+01  0.111128D+02
      2  -0.179394D+01 -0.384939D+01  0.527736D+01 -0.341163D+00 -0.877227D+00
      3  -0.779867D+01 -0.160202D+02  0.721872D+01  0.988894D+00  0.403698D+01
                96            97            98            99           100 
      1  -0.530476D+01  0.157272D+02  0.692184D+01  0.110576D+02 -0.239396D+02
      2  -0.986970D+00  0.312612D+00 -0.203262D+01 -0.303699D+01  0.974528D+01
      3   0.314516D+01  0.455366D+01  0.351430D+00 -0.140401D+02  0.271784D+02
               101           102           103           104           105 
      1  -0.114266D+02 -0.998292D+01  0.517865D+01 -0.391561D+02  0.451027D+01
      2   0.369726D+01  0.339191D+01  0.524577D+01  0.742190D+01 -0.503411D+01
      3   0.126115D+01  0.660057D+01 -0.177877D+01  0.325228D+02 -0.594891D+01
               106           107           108           109           110 
      1  -0.110084D+02  0.504303D+01 -0.187174D+02  0.321958D+01  0.145901D+02
      2   0.245252D+01 -0.568792D+01 -0.234157D+01 -0.219066D+02  0.116073D+02
      3   0.133541D+02  0.385597D+01  0.164813D+02 -0.121169D+02 -0.141608D+02
               111           112           113           114           115 
      1   0.198677D+00  0.276465D+02  0.247262D+01 -0.379017D+01 -0.434766D+01
      2  -0.205988D+01  0.313765D+02 -0.102921D+02 -0.122519D+02  0.671669D+01
      3  -0.660138D+01  0.134769D+01 -0.114998D+02 -0.717564D+01  0.195739D+01
               116           117           118           119           120 
      1  -0.815217D+01 -0.104114D+02  0.114107D+02  0.118448D+02  0.764068D+01
      2  -0.116855D+01 -0.177462D+02 -0.301608D+02 -0.501897D+01 -0.588118D+01
      3   0.599164D+01 -0.231066D+01 -0.150481D+02 -0.120184D+02 -0.618829D+01
               121           122           123           124           125 
      1  -0.497596D+01  0.152036D+01 -0.280131D+01 -0.916924D+01 -0.605796D+01
      2  -0.286487D+02 -0.772909D+01  0.190686D+02 -0.326078D+02  0.802522D+01
      3   0.186607D+01  0.168949D+01  0.126096D+02  0.473717D-01  0.147069D+02
               126           127           128           129           130 
      1   0.346669D+01 -0.706746D+01 -0.114169D+02 -0.287666D+01 -0.115326D+02
      2   0.905595D+01 -0.133653D+02  0.471342D+01  0.191267D+02 -0.143875D+02
      3   0.470941D+01 -0.139694D+02  0.690127D+01  0.452057D+01  0.409752D+01
               131           132           133           134           135 
      1   0.352739D+01 -0.368006D+01  0.167302D+02  0.923930D+01  0.715753D+01
      2   0.525506D+01  0.521198D+01  0.592729D+01 -0.670449D+01  0.697653D+01
      3  -0.213065D+01  0.281186D+01 -0.533798D+01 -0.673258D+01 -0.744825D+01
               136           137           138           139           140 
      1   0.732216D+01 -0.577690D+01  0.784640D+00  0.719784D+01  0.137381D+02
      2   0.209855D+02 -0.722334D+01  0.395623D+01  0.208748D+01  0.436148D+01
      3   0.130182D+02 -0.174736D+01  0.648685D+00  0.611164D+00 -0.970687D+01
               141           142           143           144           145 
      1   0.565888D+01  0.812352D+01  0.114465D+02  0.974946D+01  0.446394D+01
      2  -0.927761D+01  0.865640D+00 -0.864850D+01  0.129216D+02  0.466419D+01
      3  -0.123044D+02  0.453367D-01 -0.721057D+01 -0.198442D-01  0.226784D+01
               146           147           148           149           150 
      1   0.541024D+01  0.227518D+01  0.599942D+01  0.185911D+00 -0.211391D+00
      2   0.485782D+01  0.930155D+01 -0.555348D+01  0.263660D+01  0.729176D+01
      3   0.381814D+01 -0.104487D+02  0.154051D+02 -0.570091D+01 -0.328748D+01
               151           152           153           154           155 
      1  -0.311948D+01  0.974968D+01  0.580044D+01 -0.402280D+01 -0.318481D+01
      2  -0.506147D+01  0.155047D+02  0.151152D+02  0.959904D+01 -0.134854D+02
      3  -0.106966D+02 -0.560775D+01 -0.109080D+02 -0.150009D+02 -0.729633D+01
               156           157           158           159           160 
      1   0.470399D+01 -0.579812D+01  0.154678D+01 -0.478923D+01  0.701907D+01
      2  -0.232658D+01 -0.187405D+02  0.747694D+01 -0.114855D+02 -0.808474D+01
      3   0.170700D+02 -0.559564D+01  0.504941D+01 -0.272232D+01  0.201593D+02
               161           162           163           164           165 
      1   0.211371D+00  0.262205D+01  0.814681D+00 -0.128897D+01 -0.149712D+01
      2  -0.123274D+02  0.342324D+01 -0.299376D+01  0.183918D+02  0.486726D+01
      3  -0.254973D+01  0.815788D+01  0.176726D+02  0.550772D+01 -0.175651D+02
               166           167           168           169           170 
      1  -0.182065D+01 -0.122146D+01 -0.315178D+01 -0.336557D+01  0.105778D+00
      2   0.290303D+02 -0.324034D+01  0.101246D+02 -0.328825D+01  0.103570D+02
      3   0.166719D+02 -0.372095D+01  0.535928D+01 -0.278488D+02  0.357496D+01
               171           172           173           174           175 
      1  -0.558103D+00 -0.147196D+01  0.327369D+01  0.726992D+00  0.233808D+01
      2  -0.196257D+01  0.567241D+01 -0.910859D+01 -0.552905D+01 -0.704115D+01
      3  -0.107132D+02 -0.151389D+01  0.408107D+00  0.980465D+01  0.127944D+02
               176           177           178           179           180 
      1  -0.925244D+01  0.160358D+01  0.531452D+01  0.116394D+02  0.270631D+01
      2   0.124790D+02 -0.699842D+01 -0.200791D+02 -0.129342D+02 -0.489661D+01
      3   0.136102D+02 -0.105139D+02  0.108529D+02 -0.928729D+01  0.104215D+02
               181           182           183           184           185 
      1   0.176355D+01  0.120166D+02 -0.186838D+00 -0.252221D+02 -0.926802D+00
      2   0.502616D+02  0.322632D+00  0.274059D+02  0.232598D+01 -0.278387D+01
      3  -0.115743D+01 -0.162306D+02 -0.491769D+00  0.726940D+02 -0.152175D+01
               186           187           188           189           190 
      1  -0.488984D+02 -0.211727D+01  0.203748D+02 -0.853225D+00  0.204832D+01
      2  -0.597458D+00 -0.466613D+02  0.636054D+00 -0.236832D+02  0.210580D+01
      3   0.814410D+01 -0.222016D+01 -0.172061D+02  0.128455D+01 -0.110458D+02
               191           192           193           194           195 
      1  -0.533679D+01  0.260653D+00 -0.699162D+01  0.698613D+01 -0.928219D+01
      2   0.461625D+00  0.586524D+01  0.618437D+00  0.744504D+00 -0.217357D+01
      3  -0.977113D+01 -0.171792D+01  0.778164D+01  0.674209D+01  0.662614D+01
               196           197           198           199           200 
      1  -0.435354D-01  0.104536D+02 -0.502355D+01 -0.397907D+01 -0.582905D+01
      2  -0.787061D+01 -0.598660D-01  0.835813D+00  0.319154D+01 -0.573561D+00
      3  -0.194359D+01  0.540973D+01  0.384871D-01  0.915714D+01 -0.105095D+02
               201           202           203           204           205 
      1  -0.803451D+00 -0.782714D+01 -0.593508D+01 -0.702624D+01  0.130411D+00
      2   0.761910D+01 -0.737737D+00  0.161412D+01  0.291668D+01 -0.511646D+01
      3   0.268228D+01  0.491689D+01 -0.593675D+01  0.736339D+01  0.621632D+01
               206           207           208           209           210 
      1   0.110197D+02  0.300001D+01  0.195587D+01 -0.241211D+01  0.238970D+00
      2  -0.842639D+00  0.126365D+01  0.103939D+02 -0.475851D+01 -0.891374D+01
      3   0.526668D+01  0.123527D-01 -0.183558D+01  0.170293D+00  0.319666D+01
               211           212           213           214           215 
      1  -0.123181D+01  0.139941D+01  0.938343D+00  0.161428D+01  0.243766D+01
      2  -0.638317D+01  0.213975D+01  0.146374D+01 -0.121304D+02  0.753594D+00
      3   0.311105D+01 -0.588705D+00 -0.692286D+00  0.372877D+01  0.832232D+00
               216           217           218           219           220 
      1  -0.226097D+01 -0.103206D+01  0.173647D+01 -0.557479D+00  0.233039D+01
      2   0.900120D+01  0.910199D-01  0.939847D+00 -0.125341D+01  0.218299D+01
      3  -0.228723D+01  0.105913D+01 -0.161054D+01 -0.275090D+00  0.104371D+01
               221           222           223           224           225 
      1  -0.850718D+01  0.557424D+01 -0.267218D+00  0.729369D+01 -0.474796D+01
      2   0.367117D+01 -0.475730D+01 -0.242689D+01 -0.480826D+01  0.725434D+01
      3   0.534945D+01 -0.579755D+01 -0.716258D+00 -0.480845D+01  0.503734D+01
               226           227           228           229           230 
      1   0.322883D+01  0.345200D-01  0.228146D+01 -0.432505D+00  0.113638D+01
      2  -0.956839D+01  0.226281D+00 -0.556222D+01 -0.256655D+01 -0.425207D+01
      3  -0.205339D+01  0.167329D+00 -0.262383D+01 -0.194635D+01 -0.242727D+01
               231           232           233           234           235 
      1   0.173582D+01 -0.170194D+01  0.100380D+01  0.127594D+02 -0.227769D+01
      2  -0.229768D+01 -0.503852D+01  0.417795D+01 -0.245917D+02  0.110278D+01
      3   0.285258D+01 -0.484298D+01  0.134270D+01 -0.299680D+01 -0.701491D+01
               236           237           238           239           240 
      1  -0.724281D+00  0.347591D+00  0.663777D+00 -0.701346D+01 -0.327751D+01
      2   0.867866D+00 -0.287376D+00  0.124916D+00 -0.581267D+01  0.337496D+01
      3   0.473805D+00  0.903629D+00  0.649099D+01 -0.287824D+02  0.201649D+01
               241           242           243           244           245 
      1   0.245057D+00 -0.115564D+01  0.282056D+00  0.174763D+01 -0.938991D+00
      2  -0.982837D+00  0.322342D+01 -0.243610D+01 -0.111255D+02 -0.367832D+01
      3   0.766853D+00 -0.113567D+01 -0.320553D+01 -0.379346D+01 -0.557641D+01
               246           247           248           249           250 
      1  -0.291187D+01  0.508763D+00  0.156705D+00 -0.144160D+01 -0.490486D+01
      2   0.121525D+02 -0.364817D+01 -0.537183D+01  0.664351D+01  0.174312D+02
      3   0.144945D+01 -0.415516D+01 -0.379561D+01  0.498690D+01  0.514563D+00
               251           252           253           254           255 
      1   0.125544D+01  0.446488D+01 -0.336765D+01 -0.953714D+00 -0.257290D+01
      2   0.985618D+01 -0.214386D+02  0.958651D+01  0.401973D+01  0.100485D+02
      3   0.810461D+01 -0.494900D+01 -0.534630D+01 -0.587144D+01 -0.678215D+00
               256           257           258           259           260 
      1  -0.181162D+01 -0.164540D+01 -0.338142D+01 -0.394112D+01 -0.149659D+01
      2   0.507523D+01  0.633384D+01  0.653945D+01  0.148609D+02  0.889829D+01
      3  -0.312613D+01 -0.550496D+01 -0.469030D+01 -0.879741D+00 -0.989809D+01
               261           262           263           264           265 
      1  -0.529112D+01  0.143475D+01  0.134015D+01 -0.130858D+01  0.701819D+00
      2   0.178694D+02 -0.110500D+02 -0.409283D+01 -0.816787D+01 -0.299453D+01
      3  -0.468557D+01  0.130295D+02  0.591325D+01  0.276678D+01  0.735228D+01
               266           267           268           269           270 
      1  -0.161510D+00 -0.135367D+01 -0.883224D-01  0.218476D+01 -0.244255D+01
      2  -0.606738D+01 -0.603666D+01 -0.992903D+01 -0.834264D+01 -0.199072D+02
      3   0.547076D+01  0.532987D+01  0.494438D+01  0.889428D+01  0.908389D+01
               271           272           273           274           275 
      1   0.746099D+00 -0.209324D+01  0.155498D+01 -0.999578D+00  0.697626D+00
      2  -0.112698D+01 -0.450675D+00  0.599012D+01  0.366294D-01 -0.507051D+00
      3   0.967911D+01 -0.127165D+02 -0.449124D+00 -0.859692D+01  0.697954D+01
               276           277           278           279           280 
      1  -0.144405D+01  0.446525D+00  0.350482D+00  0.403861D-01  0.274761D+01
      2  -0.395026D+01  0.331692D+01 -0.367848D+01 -0.133850D+01  0.214803D+01
      3   0.125993D+01 -0.660793D+00  0.426024D+00  0.338890D+01 -0.446096D+01
               281           282           283           284           285 
      1   0.369684D+00  0.406975D+01  0.118746D+01 -0.315777D-01  0.551296D+00
      2  -0.840403D+00  0.994639D+01 -0.133193D+01  0.107270D+01  0.181080D+01
      3  -0.391945D+01 -0.143100D+01 -0.529192D+01  0.289881D+01 -0.307804D+01
               286           287           288           289           290 
      1   0.389684D+01  0.238905D+01  0.534951D+01 -0.204749D+01 -0.218462D+01
      2   0.710558D+01 -0.116120D+01  0.144069D+02  0.194205D+01  0.306844D+00
      3  -0.519921D+00 -0.371958D+01 -0.119924D+01  0.675550D+01  0.491839D+01
               291           292           293           294           295 
      1   0.315228D+00  0.166166D+01 -0.827442D+01 -0.355138D+01  0.102547D+00
      2   0.411916D+00  0.317467D+01 -0.108157D+01 -0.390079D+01  0.301994D+00
      3   0.895354D+00 -0.234073D+00  0.326776D+02 -0.289732D+01  0.219997D+01
               296           297           298           299           300 
      1  -0.312674D+00 -0.809534D+00 -0.799755D+00  0.433882D+01 -0.300717D+01
      2  -0.269395D+01 -0.621368D+00 -0.246461D+01 -0.154615D+01  0.710578D+00
      3   0.179015D+01  0.303784D+01  0.108222D+02  0.640948D+01  0.380132D+01
               301           302           303           304           305 
      1  -0.126958D+01  0.589871D+01 -0.644803D+01 -0.139675D+01 -0.452129D+01
      2  -0.206048D+01 -0.387840D+00  0.584234D+00 -0.151862D+01  0.444431D+00
      3   0.113648D+02  0.569663D+01  0.322565D+01  0.248839D+01  0.130329D+01
               306           307           308           309           310 
      1  -0.191447D+00 -0.506578D+01  0.146989D+01  0.766584D+01  0.111047D+01
      2   0.845381D+00  0.105768D+02 -0.769493D+00 -0.178541D+01  0.129481D+01
      3   0.550871D+00 -0.208599D+02  0.277963D+01  0.635559D+01  0.141889D+01
               311           312           313           314           315 
      1  -0.385123D+01 -0.215219D+01  0.553351D+01 -0.277513D+00 -0.798323D+01
      2   0.173668D+01  0.617998D+00 -0.571344D+01  0.194081D+01  0.276755D+01
      3  -0.290607D+01 -0.249561D+01  0.855184D+01 -0.457701D+01 -0.749543D+01
               316           317           318           319           320 
      1   0.564598D+01  0.882122D+00 -0.800295D+01  0.479537D+00  0.407391D+01
      2   0.772128D+01  0.117605D+01 -0.216932D+01 -0.869841D+00  0.986581D+00
      3   0.207130D+02  0.242176D+01 -0.733680D+01  0.458025D+00  0.256159D+01
               321           322           323           324           325 
      1  -0.185654D+01 -0.492304D+01 -0.509032D+00  0.794645D+01  0.108091D+01
      2  -0.921011D-01 -0.473377D+01 -0.186299D+01  0.224964D+01 -0.268461D+01
      3  -0.161072D+01 -0.645974D+01 -0.460353D+01  0.694202D+01 -0.109911D+02
               326           327           328           329           330 
      1   0.409893D+01  0.269929D+01 -0.160527D+01 -0.555187D+01 -0.649763D+01
      2   0.125092D+01  0.702508D+00  0.236765D+01 -0.325797D+00 -0.386730D+00
      3   0.632529D+01 -0.366306D+01  0.110292D+02 -0.625609D+01  0.363786D+01
               331           332           333           334           335 
      1   0.126494D+01 -0.441602D+01  0.491285D+00 -0.275812D+01 -0.244905D+01
      2  -0.166875D+01 -0.212204D+00  0.749281D+00  0.182608D+02  0.541373D+01
      3  -0.251600D+01  0.135143D+01 -0.749496D+00  0.441899D+01 -0.576987D-03
               336           337           338           339           340 
      1  -0.523176D+00 -0.139784D+01 -0.111101D+01  0.112753D+01 -0.195190D+01
      2  -0.826563D+01  0.718114D+01  0.216701D+01 -0.945283D+00 -0.104114D+02
      3  -0.297647D+01  0.289749D+01  0.489376D+00 -0.459746D+00 -0.273430D+01
               341           342           343           344           345 
      1   0.227960D+01  0.220292D+01  0.128314D+01  0.141704D+01  0.427770D+00
      2  -0.117151D+00  0.804556D+01  0.894811D-01 -0.103930D+01 -0.141599D+01
      3   0.106940D+01  0.180660D+01 -0.109806D+01 -0.145512D+01  0.107226D+00
               346           347           348           349           350 
      1   0.192137D+01  0.880853D+01  0.576171D+01  0.513979D+00  0.740314D+01
      2  -0.236981D+01  0.355243D+01  0.470156D+01 -0.267709D+01  0.466204D+01
      3   0.123852D+01 -0.526949D+01 -0.551113D+01  0.609653D+00 -0.482948D+01
               351           352           353           354           355 
      1   0.499297D+01  0.144044D+01 -0.287419D+01  0.257160D+01 -0.217500D+01
      2   0.678002D+01  0.242239D+01 -0.222847D+01  0.290296D+01  0.119993D+01
      3  -0.514582D+01 -0.148628D+01 -0.569523D+01  0.197031D+01 -0.292428D+01
               356           357           358           359           360 
      1   0.450093D+01 -0.492406D+01  0.157169D+01 -0.298974D+01  0.187244D+01
      2   0.128479D+00 -0.537374D+01  0.278414D+00 -0.493491D+01  0.122714D+01
      3   0.170527D+02 -0.130062D+01 -0.145534D+00 -0.415133D+01  0.408825D+01
               361           362           363           364           365 
      1  -0.230506D+00 -0.103777D+01 -0.262840D+01  0.119715D+01 -0.124238D+01
      2  -0.133816D+02 -0.594052D+01 -0.658975D+01 -0.143093D+01 -0.793631D+01
      3   0.164058D+02  0.553620D+01  0.563178D+01  0.566462D+01  0.790088D+01
               366           367           368           369           370 
      1  -0.277831D+01  0.101396D+01 -0.136952D+01 -0.793823D+01  0.417295D+00
      2  -0.593398D+01 -0.762820D+01 -0.113234D+02 -0.166763D+02 -0.670709D+01
      3   0.565050D+01  0.796077D+01  0.849771D+01  0.101969D+02  0.469895D+01
               371           372           373           374           375 
      1  -0.215416D+01  0.275248D+00 -0.647043D+00  0.240018D+01  0.258578D-01
      2   0.492746D+01  0.109228D+02  0.499848D+01 -0.567205D+01 -0.587350D+01
      3  -0.705486D+01 -0.521740D+01 -0.467388D+01  0.909653D+01  0.613772D+01
               376           377           378           379           380 
      1   0.276431D-01  0.239510D+01 -0.111535D+01 -0.197574D+01  0.257407D+01
      2   0.874820D+01 -0.421848D+01 -0.128834D+02 -0.101854D+02  0.546897D+01
      3  -0.441665D+01  0.520547D+01  0.374461D+01 -0.240497D+01  0.413251D+01
               381           382           383           384           385 
      1  -0.233315D+01  0.266706D+01 -0.544753D+01  0.257565D+01 -0.275852D+01
      2  -0.476633D+01  0.855852D+01 -0.886442D+01  0.114012D+02 -0.615092D+01
      3  -0.387167D+01  0.661086D+01 -0.113000D+02  0.672514D+01 -0.448667D+01
               386           387           388           389           390 
      1   0.513123D+01 -0.355417D+01  0.858712D+00 -0.903705D-01 -0.132564D+01
      2   0.822571D+01 -0.148847D+02 -0.836504D+01 -0.411663D+01  0.773761D+01
      3   0.664351D+01 -0.622599D+01 -0.155999D+02 -0.125739D+02  0.283740D+01
               391           392           393           394           395 
      1   0.118194D+01 -0.218189D+00 -0.164870D+01 -0.542556D+00  0.812104D+00
      2  -0.792408D+01 -0.229920D+01  0.435831D+01  0.825977D+01  0.253429D+01
      3  -0.138441D+02 -0.140491D+02  0.103882D+01  0.667734D+01  0.385762D+01
               396           397           398           399           400 
      1   0.102900D+01 -0.117025D+01  0.832400D+00  0.243895D-01  0.917859D+00
      2  -0.590392D+01  0.779089D+01 -0.396521D+01  0.637712D+01 -0.826580D+01
      3  -0.181747D+01  0.605104D+01 -0.723420D+01  0.503832D+01 -0.102828D+02
               401           402           403           404           405 
      1  -0.125449D+01 -0.924158D+00 -0.349251D+00  0.229554D+01  0.186718D-01
      2   0.600333D+01 -0.113476D+02  0.726621D+01 -0.680174D+01  0.148928D+02
      3   0.152885D+02 -0.752740D+01  0.901862D+01 -0.895853D+01  0.765019D+01
               406           407           408           409           410 
      1   0.485547D+01 -0.215322D+01  0.149381D+01  0.712082D+00  0.768410D+01
      2  -0.496400D+01  0.209453D+01 -0.817141D+00 -0.640966D+00 -0.956547D+01
      3  -0.942420D+01  0.437052D+01 -0.413008D+01  0.267812D+01 -0.233040D+02
               411           412           413           414           415 
      1  -0.655675D+01  0.977451D+00 -0.542425D+01  0.500491D+01 -0.196719D+01
      2   0.556307D+01  0.163023D+01  0.864228D+01 -0.828313D+01  0.451923D+01
      3   0.534625D+01 -0.735950D+01  0.964255D+01 -0.987135D+01 -0.136987D+01
               416           417           418           419           420 
      1  -0.739733D+00 -0.231278D+01  0.225866D+00  0.116118D+01 -0.174693D+01
      2   0.376178D+01  0.617315D+01  0.204370D+01  0.382930D+01  0.598251D+01
      3  -0.456316D+01 -0.308847D+01 -0.397945D+01 -0.848346D+01 -0.519141D+01
               421           422           423 
      1  -0.188159D+01  0.211634D+00 -0.555712D+01
      2   0.508303D+01  0.931321D+01  0.193757D+02
      3  -0.300615D+01 -0.770323D+01 -0.912766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393085D+02  0.102839D+02  0.956954D+01  0.191761D+02  0.154318D+02
      2   0.228510D+02 -0.732478D+01 -0.642630D+00 -0.164887D+02 -0.350503D+02
      3   0.164575D+02 -0.295908D+01 -0.892691D+01 -0.268747D+01  0.196185D+02
      4   0.480437D+00 -0.251730D+01  0.670590D+00 -0.625144D+01 -0.420184D+02
      5   0.721817D+01 -0.236528D+01  0.879767D+01 -0.572413D+00  0.267615D+01
      6  -0.214107D+01  0.179535D+00  0.465796D+01  0.288639D+01  0.773127D+01
                 6             7             8             9            10 
      1   0.880165D+00  0.761306D+01  0.262853D+01  0.157638D+02  0.206076D+02
      2   0.552958D+01 -0.313470D+01 -0.168179D+01  0.373484D+01 -0.187718D+02
      3  -0.640975D+01 -0.447836D+01 -0.946743D+00 -0.194986D+02 -0.183580D+01
      4   0.498889D+01  0.658896D+01  0.176391D+01  0.541095D+01  0.275342D+02
      5   0.487846D+01  0.541275D+01  0.978329D+00  0.157343D+02 -0.593384D+00
      6   0.187992D+01  0.785773D+00  0.819582D+00  0.840053D+01 -0.347979D+01
                11            12            13            14            15 
      1   0.102212D+02 -0.293395D+01  0.464905D+02  0.682174D+01 -0.987617D+01
      2   0.105491D+02  0.158684D+01 -0.126344D+02 -0.122385D+02  0.388485D+01
      3  -0.207704D+02  0.134711D+01 -0.338561D+02  0.541674D+01  0.599133D+01
      4   0.134473D+02 -0.711230D+01  0.171492D+02  0.139121D+02 -0.865993D-01
      5  -0.453848D+01  0.874858D+01 -0.197569D+01 -0.224724D+01  0.148184D+01
      6   0.638485D+01 -0.213161D+01 -0.396183D+00 -0.209703D+01  0.591806D+01
                16            17            18            19            20 
      1  -0.204859D+02  0.445462D+01  0.772974D+01  0.605793D+02 -0.156712D+02
      2   0.399606D+01 -0.915660D+01 -0.313179D+01 -0.339953D+02  0.159150D+02
      3   0.164898D+02  0.470197D+01 -0.459795D+01 -0.265840D+02 -0.243846D+00
      4  -0.157102D+01 -0.780415D+01  0.923802D+01 -0.256138D+02  0.101205D+02
      5   0.162128D+02  0.648277D+01 -0.831576D+01  0.399061D+02 -0.871946D+01
      6   0.561303D+01  0.249382D+01 -0.371032D+01 -0.884564D+01  0.565745D+01
                21            22            23            24            25 
      1   0.142468D+02 -0.471085D+02  0.416838D+01  0.102492D+02  0.267013D+02
      2  -0.177148D+02  0.152210D+02  0.100931D+02 -0.732570D+01 -0.744793D+01
      3   0.346792D+01  0.318875D+02 -0.142615D+02 -0.292352D+01 -0.192534D+02
      4  -0.763490D+01  0.359607D+01 -0.117444D+02  0.506756D+01  0.140084D+02
      5   0.142697D+02  0.703716D+01  0.691498D+01  0.122333D+01  0.935788D+00
      6  -0.505103D+01  0.617354D+01 -0.150829D+01 -0.184188D+01  0.100463D+01
                26            27            28            29            30 
      1   0.749990D+01 -0.355554D+01 -0.366164D+02  0.296296D+01 -0.195752D+02
      2  -0.802525D+01 -0.210283D+01  0.277395D+02 -0.819043D+01  0.149422D+02
      3   0.525356D+00  0.565837D+01  0.887688D+01  0.522747D+01  0.463297D+01
      4  -0.459661D+00 -0.302993D+01  0.629378D+01  0.380375D+01  0.108694D+02
      5   0.307872D-02  0.195542D+01 -0.383928D+02  0.106226D+02 -0.343872D+02
      6   0.293728D+00  0.997793D+01  0.926351D+01 -0.179217D+01  0.823360D+01
                31            32            33            34            35 
      1  -0.198024D+01  0.107962D+02  0.341350D+01 -0.316834D+02  0.141525D+02
      2   0.731166D+01 -0.224724D+02 -0.259770D+00  0.252573D+02 -0.101399D+02
      3  -0.533142D+01  0.116761D+02 -0.315373D+01  0.642612D+01 -0.401264D+01
      4  -0.765903D+01  0.349753D+02 -0.344714D+01  0.169830D+02  0.557517D+01
      5   0.652014D+01 -0.564331D+01 -0.726455D+01 -0.562830D+02 -0.137776D+01
      6  -0.371377D+01  0.670694D+01  0.156080D+01  0.122768D+02 -0.205763D+00
                36            37            38            39            40 
      1  -0.375343D+02 -0.727368D+02  0.470078D+02  0.120564D+02  0.518317D+02
      2   0.269157D+02  0.323740D+02 -0.212212D+02 -0.287322D+01 -0.255376D+02
      3   0.106186D+02  0.403629D+02 -0.257865D+02 -0.918315D+01 -0.262941D+02
      4  -0.360059D+00  0.523346D+02 -0.116883D+02 -0.458601D+01 -0.170986D+02
      5  -0.207820D+02  0.131000D+02 -0.514100D+01  0.245472D+02 -0.352836D+01
      6   0.335188D+01 -0.729613D+01  0.198522D+01 -0.480727D+01  0.131776D+01
                41            42            43            44            45 
      1  -0.118696D+02  0.543677D+00  0.412048D+01  0.209658D+01  0.340738D+02
      2   0.777069D+01  0.135523D+01  0.137226D+01  0.166366D+01 -0.166014D+02
      3   0.409887D+01 -0.189890D+01 -0.549274D+01 -0.376025D+01 -0.174724D+02
      4  -0.179263D+02  0.656592D+01 -0.152823D+01  0.608144D+01  0.157732D+02
      5   0.687737D+01  0.162479D+02  0.326562D+02  0.167875D+02  0.357085D+01
      6   0.109276D+01 -0.365411D+01 -0.305504D+01 -0.291713D+01 -0.453558D+01
                46            47            48            49            50 
      1   0.202106D+02 -0.309697D+02 -0.803553D+00 -0.464441D+02 -0.920171D+01
      2  -0.930472D+01  0.177038D+02 -0.555689D+01  0.257780D+02  0.953371D+01
      3  -0.109059D+02  0.132659D+02  0.636045D+01  0.206660D+02 -0.331999D+00
      4  -0.323767D+02 -0.112691D+02  0.319344D+01 -0.164065D+02  0.190796D+02
      5   0.574144D+01  0.555422D+01 -0.389898D+02  0.524901D+01 -0.372179D+01
      6   0.614655D+01 -0.160560D+00 -0.999018D+01  0.122672D+01 -0.381228D+01
                51            52            53            54            55 
      1   0.735662D+00  0.106805D+02 -0.523542D+00 -0.518282D+02 -0.376449D+01
      2  -0.424827D+01 -0.142241D+02 -0.417848D+01  0.270008D+02 -0.104655D+02
      3   0.351261D+01  0.354364D+01  0.470203D+01  0.248274D+02  0.142300D+02
      4  -0.382991D+01  0.294441D+01 -0.478096D+01 -0.398455D+02  0.142257D+02
      5  -0.248940D+02 -0.670951D+02 -0.340428D+02  0.117295D+02  0.479689D+01
      6  -0.744901D+01 -0.185631D+02 -0.730348D+01  0.380637D+01 -0.316888D+01
                56            57            58            59            60 
      1   0.831333D+01 -0.214150D+02 -0.350098D+01 -0.214475D+01  0.484318D+01
      2  -0.939893D+01 -0.127807D+02 -0.280256D+01  0.827209D+01  0.294765D+01
      3   0.108560D+01  0.341956D+02  0.630354D+01 -0.612734D+01 -0.779082D+01
      4  -0.254926D+01 -0.551550D+00  0.459516D+01  0.349748D+01 -0.195353D+01
      5   0.142318D+00  0.255753D+02 -0.929075D+00 -0.730924D+00  0.664485D+01
      6   0.234854D+01  0.704104D+01 -0.127434D+00  0.331694D+01 -0.838534D+01
                61            62            63            64            65 
      1   0.339930D+01 -0.142963D+02 -0.494694D+01 -0.167470D+01 -0.600043D+01
      2  -0.219478D+02  0.875048D+01 -0.280795D+02  0.521187D+01 -0.345350D+01
      3   0.185485D+02  0.554578D+01  0.330265D+02 -0.353716D+01  0.945394D+01
      4  -0.117996D+02  0.434366D+01  0.486809D+00 -0.770736D+00  0.101152D+02
      5   0.284008D+02 -0.402019D+00  0.323824D+02  0.568940D+01 -0.253184D+01
      6  -0.428686D+01 -0.395930D+01  0.867493D+00 -0.853225D+00 -0.543920D+00
                66            67            68            69            70 
      1   0.581086D+01 -0.827759D+01  0.663927D+01 -0.257696D+02 -0.178648D+01
      2  -0.762808D+01  0.393171D+00 -0.170768D+02 -0.656548D+01 -0.508025D+01
      3   0.181722D+01  0.788442D+01  0.104376D+02  0.323351D+02  0.686673D+01
      4  -0.303547D+01  0.484249D+01  0.154404D+01  0.131424D+01 -0.456095D+01
      5   0.374267D+01  0.160518D+00  0.605324D+00  0.184822D+02  0.270693D+01
      6   0.130368D+02  0.405551D+01  0.578507D+01  0.154702D+02  0.416296D+01
                71            72            73            74            75 
      1  -0.221861D+02 -0.221181D+02 -0.128630D+00 -0.433912D+01 -0.500143D+01
      2   0.110614D+02 -0.153089D+02  0.105532D+02 -0.549641D+01  0.261318D+01
      3   0.111247D+02  0.374270D+02 -0.104246D+02  0.983553D+01  0.238825D+01
      4   0.868207D+01  0.849488D+01 -0.748928D+01  0.399619D+00  0.163486D+02
      5   0.773433D+01  0.215513D+02  0.486574D+01  0.128610D+02 -0.103918D+01
      6   0.160427D+02  0.206786D+02  0.118453D+02  0.696347D+01  0.385072D+01
                76            77            78            79            80 
      1   0.122581D+02 -0.328561D+02 -0.948427D+01 -0.877779D+00  0.370143D+01
      2  -0.477533D+01  0.482422D+02 -0.727149D+00  0.470170D+00  0.266087D+01
      3  -0.748272D+01 -0.153861D+02  0.102114D+02  0.407609D+00 -0.636230D+01
      4   0.622972D+01  0.236774D+02  0.407482D+01  0.849050D+01  0.835748D+01
      5   0.172956D+01  0.570234D+01  0.447733D+01 -0.233379D+01  0.162119D+01
      6   0.251513D+01  0.224506D+02  0.102743D+02  0.669867D+01  0.915643D+01
                81            82            83            84            85 
      1  -0.913386D+01  0.854495D+01  0.172059D+02 -0.723105D+00  0.128691D+02
      2   0.976341D+01 -0.136714D+02 -0.395301D+02 -0.545392D+01 -0.248787D+02
      3  -0.629546D+00  0.512648D+01  0.223242D+02  0.617703D+01  0.120096D+02
      4  -0.245258D+01 -0.491518D+00 -0.221498D+02 -0.128770D+02 -0.143101D+02
      5   0.616730D+01  0.656222D+00 -0.763236D+01 -0.455203D+01 -0.306044D+01
      6  -0.729968D+00 -0.160375D+02 -0.770593D+01  0.156853D+02 -0.301771D+01
                86            87            88            89            90 
      1   0.254802D+02  0.588661D+01 -0.247500D+01 -0.370586D+01  0.386524D+01
      2  -0.512450D+02 -0.112459D+02 -0.835323D+00  0.334439D+01 -0.409278D+01
      3   0.257648D+02  0.535929D+01  0.331032D+01  0.361467D+00  0.227542D+00
      4  -0.357715D+02 -0.182669D+01 -0.889388D+01 -0.143181D+01  0.102110D+02
      5  -0.232590D+01  0.108669D+00 -0.412074D+01  0.195166D+01  0.295996D+01
      6  -0.213573D+02 -0.416622D+01  0.175376D+02 -0.104744D+02  0.105842D+01
                91            92            93            94            95 
      1   0.804967D+01 -0.180701D+02  0.608710D+00 -0.126732D+02  0.269007D+02
      2  -0.123388D+02  0.392207D+02 -0.695683D+01  0.231806D+02 -0.507770D+02
      3   0.428910D+01 -0.211507D+02  0.634812D+01 -0.105074D+02  0.238762D+02
      4  -0.995249D+00 -0.201677D+02  0.128996D+02 -0.121186D+02  0.337570D+02
      5   0.154958D+01  0.754628D+01 -0.515273D+01  0.268800D+01 -0.276270D+01
      6   0.161531D+02 -0.848790D+01 -0.152012D+02 -0.424551D+01  0.223834D+02
                96            97            98            99           100 
      1  -0.667453D+01 -0.139093D+01  0.327488D+01  0.373626D+01 -0.541782D+01
      2   0.123741D+02 -0.218622D+01 -0.260389D+01 -0.406562D+01  0.121492D+02
      3  -0.569956D+01  0.357714D+01 -0.670984D+00  0.329354D+00 -0.673141D+01
      4  -0.300570D+01  0.756775D+01 -0.236729D+01 -0.101236D+02  0.121485D+02
      5   0.215165D+00 -0.420488D+01 -0.205301D+01  0.352731D+01  0.278757D+01
      6  -0.490357D+01 -0.169835D+02 -0.105977D+02 -0.857108D+00 -0.110224D+02
               101           102           103           104           105 
      1   0.550436D+01 -0.402113D+01 -0.864529D+01 -0.347212D+02  0.942138D+01
      2   0.520513D+01  0.349579D+01  0.332305D+01  0.472922D+02  0.582932D-01
      3  -0.107095D+02  0.525340D+00  0.532224D+01 -0.125710D+02 -0.947967D+01
      4  -0.205657D+01 -0.148882D+02  0.342079D+01 -0.189878D+02  0.360853D+01
      5  -0.111607D+02 -0.292430D+00 -0.440826D+00  0.442070D+01 -0.303487D+01
      6   0.565619D+01 -0.409623D+01  0.477396D+00 -0.226196D+02  0.943514D+01
               106           107           108           109           110 
      1  -0.292123D+01 -0.172896D+01 -0.957635D+01  0.138976D+02 -0.110401D+02
      2   0.118380D+01 -0.322705D+01  0.766300D+01 -0.113322D+02 -0.123173D+02
      3   0.173743D+01  0.495601D+01  0.191335D+01 -0.256548D+01  0.233574D+02
      4  -0.685682D+01  0.763410D+01  0.196545D+01 -0.313301D+02  0.180439D+02
      5  -0.172864D+01 -0.174819D+01  0.544815D+01  0.430628D+01  0.369505D+01
      6  -0.653547D+01  0.948207D+01 -0.941046D+00  0.597020D+01  0.755874D+01
               111           112           113           114           115 
      1  -0.207383D+01 -0.443953D+02  0.110956D+02  0.635866D+01 -0.286498D+02
      2  -0.186143D+00  0.712114D+01 -0.129026D+02 -0.108627D+01  0.418007D+01
      3   0.225998D+01  0.372741D+02  0.180707D+01 -0.527239D+01  0.244697D+02
      4   0.700920D+01  0.228679D+02 -0.165069D+02 -0.864289D+00  0.761830D+01
      5   0.499091D+01 -0.276045D+01 -0.228921D+01  0.309200D+00  0.137298D+02
      6   0.268102D+01 -0.682684D+00  0.199785D+01  0.602849D+01 -0.209700D+01
               116           117           118           119           120 
      1  -0.363659D+01  0.545196D+01  0.626292D+02  0.129776D+02  0.121519D+02
      2   0.102529D+02  0.596729D+00 -0.363001D+02 -0.127192D+02 -0.173587D+02
      3  -0.661628D+01 -0.604869D+01 -0.263292D+02 -0.258469D+00  0.520684D+01
      4  -0.101964D+02 -0.100272D+02  0.236558D+02  0.112172D+02  0.575056D+01
      5  -0.603729D+01 -0.433127D+01  0.352944D+02  0.596109D+01  0.178105D+02
      6   0.448884D+01  0.172174D+01  0.535864D+01  0.643924D+01  0.573846D+01
               121           122           123           124           125 
      1   0.386019D+02  0.605497D+01 -0.107486D+02  0.263348D+02 -0.917670D+01
      2  -0.746540D+01  0.702644D+01  0.624593D+01 -0.624599D+01  0.806262D+01
      3  -0.311365D+02 -0.130814D+02  0.450264D+01 -0.200888D+02  0.111408D+01
      4   0.345505D+01  0.118558D+02  0.469894D+01 -0.155879D+02  0.247949D+01
      5  -0.876494D+01  0.574843D+01 -0.894601D+00  0.448589D+01  0.168500D+01
      6   0.720862D+01  0.597895D-01 -0.779329D+00 -0.242516D+01 -0.294756D+00
               126           127           128           129           130 
      1  -0.289320D+01 -0.353459D+01 -0.104448D+02 -0.252782D+02  0.208472D+01
      2  -0.328971D+01 -0.643605D+01  0.107319D+02 -0.125277D+02  0.437629D+01
      3   0.618292D+01  0.997064D+01 -0.287061D+00  0.378059D+02 -0.646102D+01
      4   0.521160D+01 -0.198052D+02 -0.133223D+01 -0.309569D+00  0.391288D+01
      5   0.528026D+01  0.221977D+01 -0.869328D+00  0.212607D+02  0.130786D+01
      6  -0.599808D+01  0.203695D+01  0.139362D+01 -0.760931D+01  0.122835D+00
               131           132           133           134           135 
      1  -0.243447D+01 -0.330434D+01  0.691591D+01  0.150718D+02 -0.762485D+01
      2   0.826498D+01 -0.257549D+01 -0.257369D+02 -0.916995D+01 -0.300468D+02
      3  -0.583051D+01  0.587983D+01  0.188210D+02 -0.590185D+01  0.376717D+02
      4  -0.226423D+01 -0.141211D+01  0.105211D+02  0.307309D+01 -0.125139D+01
      5  -0.426886D+00 -0.790467D+01  0.279702D+02 -0.230200D+00  0.356740D+02
      6  -0.395286D+01 -0.853208D+01  0.379963D+01 -0.343223D+01 -0.215763D+01
               136           137           138           139           140 
      1  -0.388062D+01  0.563977D+01  0.807054D+01  0.637685D+01  0.837608D+01
      2   0.584566D+01  0.126316D+01 -0.740067D+01 -0.156151D+01 -0.170936D+02
      3  -0.196504D+01 -0.690293D+01 -0.669868D+00 -0.481534D+01  0.871756D+01
      4   0.131319D+01  0.100907D+02  0.333883D+01  0.748696D+01 -0.306740D+01
      5   0.616283D+01  0.249193D+01  0.246859D+01  0.305743D-01  0.983003D+00
      6   0.102158D+01 -0.118561D+01 -0.107215D+02  0.460288D+01 -0.464693D+01
               141           142           143           144           145 
      1   0.268422D+02 -0.186397D+01  0.220592D+02 -0.223949D+02 -0.191208D+02
      2   0.791437D+01 -0.480162D+01 -0.108770D+02 -0.141369D+02  0.174553D+01
      3  -0.347566D+02  0.666559D+01 -0.111821D+02  0.365319D+02  0.173752D+02
      4   0.933368D+00  0.528937D+01  0.688361D+01 -0.612404D+01  0.190065D+02
      5  -0.155467D+02  0.907989D+00 -0.636046D+01  0.190969D+02  0.157895D+01
      6   0.162608D+02 -0.310720D+01  0.159722D+02 -0.195185D+02  0.107425D+00
               146           147           148           149           150 
      1   0.202421D+01  0.105544D+02  0.565061D+01 -0.178592D+02  0.871517D+01
      2   0.171846D+02 -0.627229D+01  0.201615D+02 -0.117187D+02 -0.432726D+01
      3  -0.192088D+02 -0.428213D+01 -0.258121D+02  0.295779D+02 -0.438791D+01
      4  -0.287440D+02  0.736171D+01 -0.497059D+02  0.440612D+02 -0.186527D+01
      5   0.112857D+02  0.411726D+01  0.126389D+02 -0.245741D+01  0.302344D+01
      6  -0.616126D+01 -0.809609D+01 -0.781731D+00  0.111355D+01 -0.601079D+01
               151           152           153           154           155 
      1   0.124873D+02  0.189297D+02  0.146531D+02 -0.214604D+01  0.205747D+02
      2  -0.121905D+02 -0.195458D+01 -0.740363D+01  0.227499D+01 -0.192934D+02
      3  -0.296785D+00 -0.169751D+02 -0.724947D+01 -0.128948D+00 -0.128139D+01
      4   0.180773D+02 -0.120312D+02  0.596562D+01  0.270460D+02 -0.167676D+01
      5   0.289516D+01  0.794688D+01  0.389222D+01  0.264400D+02 -0.320340D+02
      6  -0.435490D+01 -0.778596D+01 -0.835745D+01 -0.984356D+01  0.265195D+01
               156           157           158           159           160 
      1   0.173325D+02  0.278873D+02  0.607957D+01 -0.401736D+02  0.132843D+02
      2  -0.851715D+01 -0.232171D+02  0.148071D+01  0.181245D+02 -0.546448D+01
      3  -0.881533D+01 -0.467019D+01 -0.756028D+01  0.220491D+02 -0.781980D+01
      4  -0.317721D+02 -0.299370D+01 -0.301097D+01  0.165134D+02 -0.383702D+02
      5  -0.200443D+02 -0.446568D+02  0.132957D+02 -0.123025D+01 -0.205199D+02
      6   0.919090D+01  0.578447D+01 -0.783375D+00 -0.515881D+01  0.101292D+02
               161           162           163           164           165 
      1  -0.344944D+02 -0.136522D+02 -0.490412D+02 -0.308987D+02 -0.438591D+01
      2   0.136113D+02  0.100508D+02  0.206648D+02  0.146341D+02  0.441220D+01
      3   0.208831D+02  0.360143D+01  0.283764D+02  0.162645D+02 -0.262922D-01
      4   0.149196D+02 -0.270447D+01 -0.345407D+02 -0.196043D+02  0.304130D+02
      5  -0.323645D+01  0.152776D+02 -0.360221D+01  0.298631D+02  0.150864D+01
      6  -0.396597D+01 -0.614722D+00  0.717121D+01  0.632436D+00  0.275089D+01
               166           167           168           169           170 
      1  -0.483039D+02 -0.280040D+02  0.427902D+02 -0.233122D+01  0.427270D+02
      2   0.220773D+02  0.138514D+02 -0.213292D+02  0.217962D+01 -0.228540D+02
      3   0.262266D+02  0.141526D+02 -0.214610D+02  0.151597D+00 -0.198730D+02
      4  -0.341395D+02  0.405101D+01 -0.964384D+01  0.465969D+02 -0.737193D+01
      5   0.453433D+02 -0.975986D+01  0.214094D+02 -0.851696D+01  0.195802D+02
      6  -0.264342D+01  0.415492D+01 -0.320247D+01  0.389122D+01 -0.322768D+01
               171           172           173           174           175 
      1  -0.409363D+01 -0.173978D+02  0.613623D+01  0.441581D+01  0.300315D+01
      2   0.183974D+01  0.121857D+02  0.127227D+00 -0.246218D+01 -0.462883D+01
      3   0.225389D+01  0.521207D+01 -0.626346D+01 -0.195363D+01  0.162568D+01
      4   0.187496D+02  0.835159D+00 -0.529742D+01 -0.193410D+02 -0.191032D+02
      5  -0.604693D+01 -0.735273D+01 -0.194877D+02 -0.210213D+02 -0.247014D+02
      6   0.429390D+01 -0.485657D+01 -0.648691D+01 -0.700760D+01 -0.792411D+01
               176           177           178           179           180 
      1  -0.323388D+01 -0.200899D+02  0.104264D+02 -0.170781D+02 -0.101201D+02
      2  -0.464214D+01  0.168510D+02  0.271778D+01  0.191071D+02  0.851069D+01
      3   0.787602D+01  0.323896D+01 -0.131441D+02 -0.202898D+01  0.160937D+01
      4  -0.228054D+02 -0.163092D+00 -0.214756D+02  0.230454D+01 -0.268600D+02
      5  -0.209363D+00 -0.176132D+02 -0.309675D+02 -0.280309D+02 -0.305079D+02
      6  -0.179762D+01 -0.678137D+01 -0.147809D+02 -0.946152D+01 -0.136713D+02
               181           182           183           184           185 
      1  -0.625805D+02  0.118689D+01 -0.105524D+02  0.108556D+01  0.119072D+02
      2   0.446001D+02 -0.965405D+00  0.268685D+02 -0.438208D+00 -0.169033D+02
      3   0.179804D+02 -0.221484D+00 -0.163161D+02 -0.647357D+00  0.499618D+01
      4   0.116724D+01 -0.156319D+02 -0.303035D-01 -0.106171D+02 -0.201857D+01
      5  -0.358547D+02  0.514081D+00 -0.365832D+02 -0.868567D+00 -0.898400D+01
      6  -0.417462D+00 -0.558258D+01 -0.308959D+00 -0.128981D+02  0.110788D+00
               186           187           188           189           190 
      1  -0.154126D+00 -0.158930D+02  0.612955D+00  0.170099D+02  0.305110D+02
      2  -0.398500D+00  0.301753D+02 -0.266700D+00  0.237381D+02 -0.133893D+02
      3   0.552626D+00 -0.142823D+02 -0.346255D+00 -0.407480D+02 -0.171217D+02
      4  -0.670106D+01  0.855991D+00 -0.147062D+02 -0.356902D+00 -0.223480D+02
      5  -0.585139D+00 -0.237549D+02  0.911004D+00 -0.349344D+02 -0.124992D+02
      6  -0.171891D+02 -0.211786D+00 -0.831855D+01 -0.351283D+00  0.990991D+01
               191           192           193           194           195 
      1  -0.139925D+01 -0.161246D+01 -0.255158D+01 -0.464495D+02 -0.163640D+02
      2  -0.468415D+01  0.355519D+01 -0.801180D+01  0.746244D+02  0.135405D+02
      3   0.608341D+01 -0.194273D+01  0.105634D+02 -0.281749D+02  0.282348D+01
      4   0.251935D+02  0.101176D+02  0.243626D+02 -0.261581D+02 -0.949015D+01
      5   0.978046D+01  0.194471D+02  0.319147D+01 -0.108070D+02 -0.625218D+01
      6  -0.349159D+01 -0.688992D+01 -0.708635D+01  0.308174D+02  0.301598D+02
               196           197           198           199           200 
      1  -0.174580D+01 -0.181054D+02 -0.248765D+02  0.328967D+02 -0.278188D+00
      2   0.623583D+01  0.774902D+01 -0.363222D+01 -0.166594D+02  0.629970D+01
      3  -0.449003D+01  0.103564D+02  0.285087D+02 -0.162374D+02 -0.602151D+01
      4   0.713593D+01 -0.562883D+01 -0.120483D+02  0.199833D+02  0.232289D+02
      5   0.199039D+02 -0.116113D+02 -0.181539D+02 -0.159744D+02 -0.841155D+01
      6  -0.109140D+02  0.324273D+02  0.346747D+02 -0.889406D+01 -0.444455D+01
               201           202           203           204           205 
      1  -0.167574D+01 -0.427456D+00 -0.391369D+02  0.169988D+02  0.228949D+01
      2   0.514011D+01  0.904014D+01  0.611681D+02 -0.135544D+02  0.580758D+01
      3  -0.346437D+01 -0.861268D+01 -0.220312D+02 -0.344446D+01 -0.809707D+01
      4  -0.964871D+01  0.241618D+02  0.264830D+02 -0.110543D+02 -0.686361D+01
      5   0.226661D+02 -0.284889D+01 -0.126809D+02  0.756577D+01  0.221944D+02
      6   0.737017D+01 -0.870767D+01 -0.314759D+02  0.299168D+02  0.125104D+02
               206           207           208           209           210 
      1   0.180471D+02 -0.252241D+02 -0.707513D+01  0.625309D+01  0.185649D+02
      2  -0.734048D+01 -0.969641D+01 -0.763911D+01  0.106945D+01  0.101337D+02
      3  -0.107066D+02  0.349205D+02  0.147142D+02 -0.732254D+01 -0.286986D+02
      4  -0.619529D+01  0.128666D+02 -0.379208D+01  0.157783D+01  0.299478D+01
      5   0.125108D+02 -0.223497D+02 -0.108829D+02  0.299445D+01  0.107337D+02
      6   0.295180D+02 -0.345820D+02  0.825042D+01 -0.723280D+01 -0.136644D+02
               211           212           213           214           215 
      1   0.269408D+01 -0.319140D+01 -0.871527D+00  0.947695D+01 -0.227229D+01
      2  -0.831354D+00  0.337432D+00  0.254614D+01  0.482692D+01 -0.569623D+00
      3  -0.186273D+01  0.285397D+01 -0.167461D+01 -0.143039D+02  0.284191D+01
      4   0.135856D+01 -0.205650D+01 -0.125160D+01  0.155259D+01 -0.196266D+01
      5   0.261329D+01 -0.246501D+01 -0.357090D+01  0.828305D+01 -0.245262D+01
      6  -0.400969D+01  0.426456D+01  0.473489D+01 -0.518033D+01  0.474379D+01
               216           217           218           219           220 
      1  -0.163573D+02 -0.841342D-01 -0.156940D+01  0.450084D+01  0.129408D+01
      2  -0.109506D+02  0.297898D+00 -0.872039D+00  0.346607D+01  0.308298D+01
      3   0.273079D+02 -0.213764D+00  0.244144D+01 -0.796691D+01 -0.437706D+01
      4  -0.251055D+01 -0.205004D+01  0.187854D+01 -0.160125D+01  0.513242D+01
      5  -0.113954D+02  0.690576D+00 -0.257513D+01  0.940761D+00 -0.804426D+01
      6   0.750928D+01 -0.279876D+01  0.107386D+01  0.504569D+00  0.581037D+01
               221           222           223           224           225 
      1  -0.153864D+02  0.186908D+02  0.471842D+00  0.120225D+02 -0.202548D+02
      2   0.596155D+00  0.588695D+01 -0.360236D+00  0.220895D+01 -0.612264D+01
      3   0.147903D+02 -0.245777D+02 -0.111606D+00 -0.142314D+02  0.263774D+02
      4  -0.102289D+02  0.104195D+02 -0.259107D+01  0.442016D+01 -0.592152D+01
      5   0.119209D+02 -0.165744D+02  0.304015D+01 -0.722395D+01  0.101580D+02
      6  -0.220860D+02  0.246853D+02 -0.214333D+01  0.156721D+02 -0.205073D+02
               226           227           228           229           230 
      1  -0.257232D+01  0.158467D+00 -0.681971D+01 -0.102656D+02 -0.532466D+01
      2  -0.121928D+01 -0.408413D+00  0.138849D+01  0.727828D+01  0.539657D+01
      3   0.379160D+01  0.249946D+00  0.543122D+01  0.298732D+01 -0.719003D-01
      4  -0.464321D+01 -0.123515D+01 -0.204556D+00 -0.782921D+00  0.436752D+01
      5  -0.852073D+00  0.190558D+01 -0.108101D+01  0.134684D+01 -0.298527D+01
      6  -0.656363D-01  0.116442D+01 -0.309319D+01 -0.201119D+00 -0.264588D+01
               231           232           233           234           235 
      1   0.107177D+01 -0.189889D+02  0.845302D+00 -0.142816D+02 -0.133915D+01
      2  -0.471376D+01  0.929983D+01 -0.678410D+00 -0.999100D+01  0.756206D+01
      3   0.364200D+01  0.968910D+01 -0.166892D+00  0.242726D+02 -0.622290D+01
      4  -0.389967D+01 -0.976469D+01 -0.630672D+01  0.301940D+01  0.703490D+01
      5  -0.319412D+01  0.100510D+02  0.517696D+01 -0.269978D+02  0.497742D+00
      6   0.175449D+01  0.150102D+01  0.640688D+01 -0.147494D+02 -0.147664D+00
               236           237           238           239           240 
      1   0.573231D+01  0.567659D+00  0.105381D+02 -0.247890D+02  0.101914D+01
      2  -0.624216D+00 -0.674212D+00  0.351864D+01  0.520551D+02 -0.448055D+01
      3  -0.510809D+01  0.106554D+00 -0.140567D+02 -0.272662D+02  0.346142D+01
      4   0.125407D+02 -0.506282D+00  0.231235D+02  0.564820D+02 -0.838328D+01
      5  -0.114393D+01 -0.168234D+00 -0.627977D+01 -0.474259D+01  0.505036D+01
      6  -0.100396D+01 -0.138846D+00 -0.410208D+01 -0.122948D+02  0.711983D+01
               241           242           243           244           245 
      1   0.785921D+00  0.383431D+00 -0.525962D+01  0.539525D+02  0.179368D+02
      2  -0.186375D+00  0.169681D+01  0.355185D+01 -0.316731D+02 -0.904630D+01
      3  -0.599545D+00 -0.208024D+01  0.170777D+01 -0.222793D+02 -0.889052D+01
      4   0.187524D+00  0.102450D+01  0.516510D+01  0.298041D+02  0.174521D+02
      5   0.154114D+01  0.555871D+01 -0.204762D+01 -0.413808D+02 -0.124408D+02
      6   0.110311D+01  0.708661D+01 -0.208355D+01 -0.957903D+01 -0.478208D+01
               246           247           248           249           250 
      1  -0.273771D+02  0.183422D+02  0.105552D+02 -0.600984D+01 -0.446811D+02
      2   0.185708D+02 -0.788513D+01 -0.458728D+01  0.285100D+01  0.317509D+02
      3   0.880624D+01 -0.104571D+02 -0.596796D+01  0.315884D+01  0.129302D+02
      4  -0.145986D+02  0.236599D+02  0.148018D+02 -0.153803D+02 -0.261098D+02
      5   0.320865D+02 -0.143244D+02 -0.148194D+02  0.147980D+02  0.557975D+02
      6   0.740706D+01 -0.740496D+01 -0.657241D+01  0.885605D+01  0.140177D+02
               251           252           253           254           255 
      1  -0.105515D+02  0.299257D+02  0.433123D+02  0.173143D+02  0.172093D+02
      2   0.687146D+01 -0.270372D+02 -0.196801D+02 -0.661689D+01 -0.769666D+01
      3   0.368004D+01 -0.288854D+01 -0.236322D+02 -0.106974D+02 -0.951266D+01
      4  -0.202470D+02  0.262449D+02  0.264391D+02  0.170936D+02  0.929893D+01
      5   0.230401D+02 -0.521841D+02  0.195428D+02  0.663018D+01  0.183964D+02
      6   0.100623D+02 -0.143656D+02  0.467723D+01  0.204355D+01  0.454594D+01
               256           257           258           259           260 
      1   0.223479D+02  0.117952D+02  0.451640D+01  0.405090D+02  0.120520D+02
      2  -0.748318D+01 -0.112980D+01  0.817809D+00 -0.178838D+02 -0.236571D+01
      3  -0.148647D+02 -0.106654D+02 -0.533421D+01 -0.226252D+02 -0.968630D+01
      4   0.237539D+02  0.179351D+02  0.124890D+02  0.237771D+02  0.224512D+02
      5   0.739034D+01  0.111862D+02  0.113997D+02  0.323988D+02  0.179598D+02
      6   0.366159D+01  0.492070D+01  0.585577D+01  0.947085D+01  0.620615D+01
               261           262           263           264           265 
      1   0.236362D+02 -0.171010D+02 -0.118488D+02 -0.963763D+01 -0.158367D+02
      2  -0.117639D+02  0.943834D+01  0.521622D+01  0.276000D+01  0.862663D+01
      3  -0.118723D+02  0.766262D+01  0.663261D+01  0.687762D+01  0.721006D+01
      4   0.212985D+02 -0.732634D+01 -0.265318D+01 -0.396263D+00  0.391378D+01
      5   0.306370D+02 -0.457618D+01 -0.601293D+00 -0.965688D+01  0.261944D+01
      6   0.884724D+01  0.418034D+01  0.127940D+01  0.323482D+01  0.155885D+01
               266           267           268           269           270 
      1  -0.427872D+01 -0.218238D+01 -0.151331D+02 -0.684213D+01 -0.151204D+02
      2   0.256149D+01  0.952884D+00  0.657707D+01  0.173679D+01 -0.169307D+01
      3   0.171723D+01  0.122949D+01  0.855606D+01  0.510534D+01  0.168134D+02
      4  -0.543869D+01 -0.683318D+01  0.991196D+00 -0.127590D+02 -0.108716D+02
      5  -0.667989D+01 -0.963958D+01  0.778055D+00 -0.121643D+02 -0.280794D+02
      6   0.433928D+01  0.668205D+01  0.934376D+00  0.758699D+01  0.103601D+02
               271           272           273           274           275 
      1   0.137594D+03 -0.406776D+02 -0.151506D+02 -0.395013D+02  0.252418D+02
      2  -0.665055D+02  0.172700D+02  0.844546D+01  0.148951D+02 -0.809567D+01
      3  -0.710886D+02  0.234077D+02  0.670519D+01  0.246063D+02 -0.171461D+02
      4  -0.557409D+02  0.316240D+02  0.582160D+01  0.371387D+02 -0.223513D+02
      5  -0.223275D+02  0.620043D+01  0.126033D+02  0.746192D+01 -0.456790D+01
      6   0.712969D+01 -0.394555D+01 -0.285028D+01 -0.430656D+01  0.269725D+01
               276           277           278           279           280 
      1   0.418171D+01 -0.470847D+01  0.102044D+01  0.104528D+02  0.629272D+02
      2  -0.214625D+01  0.330652D+01 -0.137829D+01 -0.618749D+01 -0.407060D+02
      3  -0.203546D+01  0.140195D+01  0.357855D+00 -0.426528D+01 -0.222212D+02
      4  -0.420650D+01  0.263464D+01 -0.148936D+01 -0.805872D+01 -0.171138D+02
      5  -0.665540D+01  0.158679D+02 -0.819355D+01 -0.414600D+01  0.488206D+02
      6   0.298995D+01 -0.345323D+01  0.288429D+01  0.179526D+01 -0.895339D+01
               281           282           283           284           285 
      1  -0.724080D+01  0.264258D+02  0.635559D+01  0.420308D+01  0.233737D-01
      2   0.411619D+01 -0.197641D+02 -0.645660D+01 -0.657378D+00 -0.260856D+01
      3   0.312462D+01 -0.666171D+01  0.101014D+00 -0.354570D+01  0.258519D+01
      4   0.997580D+01 -0.101592D+02  0.114910D+02 -0.713990D+01  0.720550D+01
      5  -0.940825D+01  0.375459D+02  0.173191D+00  0.832596D+01  0.270627D+01
      6   0.418472D+01 -0.783291D+01  0.390603D+01 -0.203807D+01  0.394335D+01
               286           287           288           289           290 
      1   0.433404D+02 -0.988440D+01  0.233707D+02 -0.117330D+01 -0.815916D+01
      2  -0.332563D+02  0.633676D+01 -0.266068D+02  0.267505D+01  0.568743D+01
      3  -0.100841D+02  0.354764D+01  0.323612D+01 -0.150174D+01  0.247173D+01
      4  -0.203670D+02  0.104408D+02 -0.120853D+02 -0.550594D+01  0.892190D+00
      5   0.545504D+02 -0.120248D+02  0.512137D+02  0.254292D+01  0.150570D+00
      6  -0.127156D+02  0.709582D+01 -0.112928D+02 -0.378930D+00 -0.317776D+01
               291           292           293           294           295 
      1   0.374696D+01 -0.138189D+02 -0.147419D+02  0.245499D+01  0.166140D+01
      2  -0.202438D+01 -0.200406D-01  0.344322D+02 -0.314544D+01 -0.215008D+01
      3  -0.172258D+01  0.138389D+02 -0.196904D+02  0.690445D+00  0.488673D+00
      4   0.397705D+00  0.199803D+02 -0.526309D+02  0.688408D+01 -0.231760D+01
      5   0.379889D+01 -0.407764D+01  0.928563D+01 -0.743335D+01  0.102039D+02
      6  -0.891225D+00  0.320027D+01 -0.120849D+02  0.639844D+01 -0.275298D+01
               296           297           298           299           300 
      1   0.350011D+00  0.418920D+01 -0.491358D+01 -0.213848D+02 -0.419699D+01
      2   0.115644D+01 -0.116310D+01  0.172836D+02  0.451236D+02  0.649233D+01
      3  -0.150645D+01 -0.302610D+01 -0.123700D+02 -0.237388D+02 -0.229533D+01
      4  -0.135344D+01 -0.525488D+01  0.215725D+02  0.323163D+02  0.744938D+01
      5  -0.510426D+01  0.348987D+01  0.467510D+01  0.510843D+01  0.465576D+01
      6   0.429896D+01 -0.348208D+01  0.924869D+01  0.149037D+02  0.617056D+01
               301           302           303           304           305 
      1  -0.109814D+02 -0.440489D+02 -0.793163D+01 -0.112314D+01 -0.409124D+01
      2   0.235519D+02  0.832958D+02  0.128608D+02  0.174879D+01  0.373229D+01
      3  -0.125705D+02 -0.392469D+02 -0.492918D+01 -0.625644D+00  0.358953D+00
      4   0.200272D+02  0.370514D+02  0.618613D+01  0.378210D+01  0.419674D+01
      5   0.320005D+01  0.532877D+01  0.225107D+01  0.404945D+01  0.343734D+01
      6   0.755021D+01  0.246461D+02  0.120387D+02  0.359745D+01  0.155259D+02
               306           307           308           309           310 
      1  -0.677032D+01  0.279507D+01  0.897129D+01  0.538136D+01  0.418942D+01
      2   0.903919D+01  0.192939D+00 -0.974165D+01 -0.377710D+01 -0.442560D+01
      3  -0.226887D+01 -0.298801D+01  0.770359D+00 -0.160426D+01  0.236176D+00
      4   0.495363D+01 -0.171496D+02  0.105803D+02  0.916835D+01  0.572230D+01
      5   0.259510D+01 -0.871821D+01  0.454040D+01  0.578570D+01  0.125497D+01
      6   0.609098D+01  0.131214D+02 -0.111622D+02 -0.158123D+02 -0.478466D+01
               311           312           313           314           315 
      1  -0.735477D+01 -0.552899D+01  0.436635D+01 -0.110310D+02 -0.102846D+02
      2   0.113462D+02  0.779895D+01 -0.174822D+01  0.113962D+02  0.315363D+01
      3  -0.399145D+01 -0.226996D+01 -0.261814D+01 -0.365177D+00  0.713096D+01
      4  -0.473121D+01 -0.297524D+01  0.940794D+01 -0.484731D+01 -0.842318D+01
      5  -0.240975D+01 -0.200664D+01  0.609196D+01 -0.336110D+01 -0.583769D+01
      6   0.113143D+02  0.901153D+01 -0.121932D+02  0.158339D+02  0.206486D+02
               316           317           318           319           320 
      1   0.292047D+01 -0.906818D+01  0.433390D+01 -0.431863D+01 -0.605831D+01
      2  -0.101376D+01  0.975810D+01 -0.232261D+01  0.467068D+01  0.950197D+01
      3  -0.190671D+01 -0.689922D+00 -0.201128D+01 -0.352053D+00 -0.344366D+01
      4   0.178480D+02  0.101699D+02 -0.102724D+02  0.459819D+01  0.469450D+01
      5  -0.100626D+02 -0.466305D+01  0.666918D+01 -0.645571D+00 -0.256662D+01
      6  -0.142730D+02 -0.110716D+02  0.162503D+02 -0.401668D+01 -0.104811D+02
               321           322           323           324           325 
      1   0.557121D+01  0.524792D+01  0.100489D+02 -0.102435D+02 -0.509162D+01
      2  -0.778960D+01 -0.235301D+01 -0.100894D+02  0.262555D+01  0.161666D+02
      3   0.221839D+01 -0.289491D+01  0.404967D-01  0.761798D+01 -0.110750D+02
      4  -0.257366D+01 -0.860043D+01 -0.530946D+01  0.859516D+01 -0.200983D+02
      5   0.188097D+01  0.599777D+01  0.379898D+01 -0.663802D+01  0.477029D+01
      6   0.840887D+01  0.119217D+02  0.154247D+02 -0.206434D+02 -0.932210D+01
               326           327           328           329           330 
      1   0.224346D+02 -0.473988D+01  0.108434D+02 -0.452090D+02  0.862086D+01
      2  -0.448850D+02  0.709506D+01 -0.221828D+02  0.832727D+02 -0.137576D+02
      3   0.224504D+02 -0.235517D+01  0.113394D+02 -0.380637D+02  0.513675D+01
      4   0.307799D+02 -0.768167D+01  0.187384D+02 -0.346687D+02  0.639679D+01
      5  -0.539754D+01  0.472957D+01 -0.337111D+01  0.537249D+01 -0.224388D+01
      6   0.157589D+02 -0.658700D+01  0.777256D+01 -0.262404D+02  0.126614D+02
               331           332           333           334           335 
      1  -0.143852D+01  0.499657D+01 -0.717259D+01 -0.309342D+01 -0.527138D+01
      2   0.218117D+01 -0.493877D+01  0.919867D+01 -0.934114D+01 -0.886131D+00
      3  -0.742654D+00 -0.577939D-01 -0.202608D+01  0.124346D+02  0.615751D+01
      4  -0.383234D+01  0.472987D+01 -0.481797D+01  0.629160D+01  0.214267D+01
      5   0.398060D+01 -0.333410D+01  0.261116D+01 -0.146216D+02 -0.336745D+01
      6  -0.366778D+01  0.159634D+02 -0.686848D+01 -0.815895D+01 -0.667533D+01
               336           337           338           339           340 
      1   0.170206D+02 -0.158082D+01 -0.242202D+01  0.475522D-01  0.960333D+01
      2   0.103549D+02  0.825880D+00  0.174710D-01 -0.285456D+01  0.500834D+01
      3  -0.273755D+02  0.754939D+00  0.240454D+01  0.280701D+01 -0.146117D+02
      4  -0.323236D+01  0.215533D+01  0.205356D+01 -0.136278D+01 -0.131467D+01
      5   0.120902D+02 -0.252973D+01 -0.271495D+01  0.290668D+01  0.841001D+01
      6   0.122866D+02 -0.395202D+01 -0.364969D+01  0.417865D+01  0.466803D+01
               341           342           343           344           345 
      1   0.164475D+01 -0.144980D+02 -0.706833D+00  0.170424D+01  0.472598D+01
      2   0.470759D+00 -0.103097D+02  0.170078D+00  0.105699D+01  0.345530D+01
      3  -0.211551D+01  0.248077D+02  0.536754D+00 -0.276123D+01 -0.818129D+01
      4  -0.181398D+01  0.256318D+01  0.235800D+01  0.180909D+01  0.191483D+01
      5   0.235898D+01 -0.120027D+02  0.101866D+01  0.298930D+01  0.147848D+01
      6   0.420372D+01 -0.607133D+01  0.330793D+01  0.102855D+01 -0.619185D+00
               346           347           348           349           350 
      1  -0.797360D+00 -0.160058D+02 -0.194865D+02  0.597760D+00 -0.123185D+02
      2  -0.308940D+01  0.806719D+00 -0.575698D+01 -0.208426D+00 -0.170190D+01
      3   0.388676D+01  0.151991D+02  0.252435D+02 -0.389334D+00  0.140204D+02
      4   0.440912D+01  0.965715D+01  0.965214D+01  0.285684D+01  0.384907D+01
      5   0.753541D+01  0.109396D+02  0.156858D+02  0.278975D+01  0.682606D+01
      6   0.512504D+01  0.221190D+02  0.247592D+02  0.213680D+01  0.158976D+02
               351           352           353           354           355 
      1  -0.201166D+02  0.262897D+02 -0.117292D+02 -0.536738D+00 -0.160137D+02
      2  -0.520338D+01 -0.344379D+00 -0.850082D+01  0.169334D+01 -0.129880D+02
      3   0.253200D+02 -0.259454D+02  0.202301D+02 -0.115661D+01  0.290016D+02
      4   0.555124D+01 -0.348685D+02  0.342238D+02 -0.331164D+01  0.481918D+02
      5   0.850847D+01  0.533995D+00 -0.435658D+01  0.483939D+01  0.442844D+00
      6   0.203801D+02 -0.206024D+01  0.695405D+00 -0.120070D+01 -0.445433D+00
               356           357           358           359           360 
      1   0.321279D+01  0.221703D+01  0.810295D+01 -0.296304D+01 -0.278237D+01
      2   0.330466D+02 -0.313430D+01  0.183262D+01 -0.856776D+01  0.367122D+01
      3  -0.362594D+02  0.917271D+00 -0.993557D+01  0.115308D+02 -0.888852D+00
      4  -0.630298D+02  0.171168D+01 -0.166724D+02  0.184943D+02 -0.834367D+01
      5   0.445856D+01 -0.710605D+01  0.540207D+01 -0.883497D+01  0.487315D+01
      6  -0.103059D+01  0.622523D+01 -0.328600D+01  0.819739D+01 -0.284779D+01
               361           362           363           364           365 
      1  -0.178548D+02 -0.814497D+01 -0.857481D+01 -0.737046D+01 -0.747231D+01
      2   0.112846D+02  0.443294D+01  0.454238D+01  0.195983D+01  0.966108D+01
      3   0.657021D+01  0.371203D+01  0.403243D+01  0.541064D+01 -0.218877D+01
      4   0.513678D+01  0.242254D+01 -0.125518D+01  0.965980D+01 -0.111885D+02
      5   0.123333D+01 -0.272408D+01 -0.204819D+01  0.439054D+00 -0.470536D+01
      6   0.278424D+01  0.449943D+01  0.560404D+01  0.146138D+01  0.809260D+01
               366           367           368           369           370 
      1  -0.754603D+01 -0.137285D+02 -0.135282D+02 -0.161822D+02  0.681991D+02
      2   0.563168D+01  0.861877D+01  0.698574D+01  0.258418D+01 -0.397561D+02
      3   0.191436D+01  0.510975D+01  0.654245D+01  0.135980D+02 -0.284430D+02
      4  -0.495486D+01  0.116093D+01 -0.615083D+01 -0.839504D+01 -0.347483D+02
      5  -0.469829D+01  0.445570D+01 -0.959462D+01 -0.165144D+02 -0.496737D+02
      6   0.850425D+01  0.828628D+00  0.128996D+02  0.177501D+02  0.114464D+02
               371           372           373           374           375 
      1  -0.196476D+02 -0.295623D+02 -0.271550D+02  0.124794D+02  0.138432D+02
      2   0.107560D+02  0.210152D+02  0.146701D+02 -0.508452D+01 -0.902421D+01
      3   0.889158D+01  0.854713D+01  0.124849D+02 -0.739490D+01 -0.481900D+01
      4   0.199691D+02  0.205932D+02  0.281852D+02 -0.233087D+02 -0.195462D+02
      5   0.195361D+02  0.362928D+02  0.268733D+02 -0.190306D+02 -0.196950D+02
      6  -0.633975D+01 -0.790828D+01 -0.102500D+02  0.875019D+01  0.996443D+01
               376           377           378           379           380 
      1  -0.268409D+02  0.950251D+01  0.205109D+02 -0.141389D+02  0.431822D+01
      2   0.213209D+02 -0.696953D+01 -0.197103D+02  0.547377D+01  0.115361D+01
      3   0.551999D+01 -0.253298D+01 -0.800607D+00  0.866510D+01 -0.547183D+01
      4   0.200881D+02 -0.133862D+02 -0.174837D+02  0.426435D+01 -0.326803D+01
      5   0.411939D+02 -0.159510D+02 -0.386303D+02 -0.531799D+01  0.400719D+01
      6  -0.100712D+02  0.801543D+01  0.996889D+01 -0.218549D+01  0.861739D+00
               381           382           383           384           385 
      1  -0.883494D+01  0.124610D+02 -0.727581D+01  0.109754D+02 -0.125401D+02
      2   0.152375D+01 -0.559220D+01  0.885748D+00 -0.200563D+00  0.608282D+01
      3   0.731118D+01 -0.686880D+01  0.639007D+01 -0.107748D+02  0.645732D+01
      4   0.466947D+01 -0.781302D+00  0.131796D+02 -0.106548D+02  0.413297D+01
      5  -0.687002D+00  0.355665D+01 -0.989626D+01  0.150017D+02  0.699460D+01
      6  -0.113331D+01  0.700112D+00 -0.646815D+01  0.561988D+01 -0.239265D+01
               386           387           388           389           390 
      1   0.883482D+01 -0.787895D+01  0.118154D+03  0.373922D+02 -0.124961D+02
      2  -0.226091D+00 -0.744331D+01 -0.561194D+02 -0.159756D+02  0.625465D+01
      3  -0.860873D+01  0.153223D+02 -0.620349D+02 -0.214166D+02  0.624144D+01
      4  -0.904194D+01  0.751596D+01  0.457639D+02  0.270216D+02 -0.770049D+01
      5   0.725677D+01 -0.232774D+02 -0.142614D+02 -0.697874D+01  0.129032D+02
      6   0.600075D+01 -0.453094D+01 -0.454563D+01 -0.154633D+01  0.164695D+01
               391           392           393           394           395 
      1   0.605011D+02  0.312298D+02 -0.943985D+01 -0.308525D+02 -0.131837D+02
      2  -0.255555D+02 -0.107547D+02  0.420922D+01  0.151496D+02  0.626364D+01
      3  -0.349456D+02 -0.204751D+02  0.523063D+01  0.157029D+02  0.692008D+01
      4   0.430540D+02  0.306530D+02 -0.402609D+01 -0.164225D+02 -0.750639D+01
      5  -0.111315D+02 -0.360083D+01  0.638885D+01  0.216764D+02  0.630736D+01
      6  -0.286521D+01 -0.258957D+01  0.305503D+01  0.394276D+01  0.354980D+01
               396           397           398           399           400 
      1   0.153718D+02  0.476945D+02 -0.118963D+02  0.171517D+02 -0.322695D+02
      2  -0.844783D+01 -0.248558D+02  0.583641D+01 -0.101534D+02  0.156775D+02
      3  -0.692400D+01 -0.228386D+02  0.605989D+01 -0.699831D+01  0.165920D+02
      4   0.649200D+01 -0.160387D+02  0.144359D+02 -0.102327D+02  0.297190D+02
      5  -0.101826D+02  0.222384D+02 -0.105035D+02  0.149212D+02 -0.230916D+02
      6  -0.235672D+01 -0.462120D+01  0.248997D+01 -0.271862D+01  0.588374D+01
               401           402           403           404           405 
      1   0.194490D+02 -0.167480D+02  0.346156D+02 -0.140368D+02  0.171544D+02
      2  -0.780925D+01  0.870494D+01 -0.211165D+02  0.879372D+01 -0.136841D+02
      3  -0.116397D+02  0.804310D+01 -0.134990D+02  0.524310D+01 -0.347022D+01
      4  -0.282917D+02  0.159803D+02 -0.190378D+02  0.152615D+02 -0.161683D+02
      5   0.161795D+02 -0.219957D+02  0.288066D+02 -0.162371D+02  0.318963D+02
      6  -0.636531D+01  0.618579D+01 -0.563430D+01  0.568202D+01 -0.606449D+01
               406           407           408           409           410 
      1  -0.661142D+01  0.677945D+01 -0.343658D+01  0.199003D+02 -0.820199D+01
      2   0.595558D+01 -0.449785D+01  0.220799D+01 -0.573057D+01  0.227529D+02
      3   0.655834D+00 -0.228160D+01  0.122859D+01 -0.141697D+02 -0.145509D+02
      4   0.545494D+01  0.229042D+01 -0.145206D+01  0.170888D+02  0.378999D+02
      5  -0.199796D+01 -0.145270D+01  0.124838D+01  0.211241D+01 -0.135036D+01
      6  -0.405106D+01 -0.729902D+00  0.110923D+01  0.297938D+01 -0.438869D+00
               411           412           413           414           415 
      1   0.425307D+01 -0.212123D+02  0.326887D+01 -0.177294D+01  0.232950D+02
      2  -0.532671D+01  0.784752D+01 -0.893383D+01  0.334497D+01 -0.161560D+02
      3   0.107364D+01  0.133648D+02  0.566496D+01 -0.157203D+01 -0.713896D+01
      4  -0.300181D+01 -0.377791D+01 -0.128899D+02  0.973651D+01  0.164995D+02
      5   0.906071D+01  0.318583D+01  0.102689D+02 -0.322016D+01  0.266797D+02
      6   0.514705D+01  0.184483D+01  0.374505D+01 -0.153952D+01  0.886663D+01
               416           417           418           419           420 
      1   0.625588D+01  0.124557D+02  0.766462D+01  0.287938D+01  0.293815D+01
      2  -0.343170D+01 -0.901263D+01 -0.252093D+01  0.402364D+00 -0.194203D+01
      3  -0.282419D+01 -0.344305D+01 -0.514369D+01 -0.328175D+01 -0.996112D+00
      4   0.132961D+02  0.145323D+02  0.192534D+02  0.213303D+02  0.163179D+02
      5   0.145458D+02  0.240903D+02  0.156871D+02  0.173598D+02  0.168359D+02
      6   0.587543D+01  0.736429D+01  0.919743D+01  0.105932D+02  0.124266D+02
               421           422           423 
      1   0.225765D+02  0.512751D+01  0.494821D+01
      2  -0.183121D+02 -0.629915D+01 -0.157847D+02
      3  -0.426441D+01  0.117165D+01  0.108365D+02
      4   0.250664D+02  0.210716D+02  0.280091D+02
      5   0.400339D+02  0.290791D+02  0.529602D+02
      6   0.160833D+02  0.165789D+02  0.216678D+02
 Leave Link  716 at Fri Jul  9 16:04:52 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.334467D+03 -0.344964D+00 -0.338487D+01
      2  -0.344964D+00  0.268312D+03  0.421458D+00
      3  -0.338487D+01  0.421458D+00  0.250057D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.224599D+01 -0.140993D+01 -0.515844D+02
      2   0.393348D+00 -0.146732D+02 -0.202385D+01
      3   0.829033D+02 -0.511010D+01  0.165708D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.382380D+01 -0.985495D+02 -0.806149D+01
      2   0.845986D+01  0.190328D+03  0.121215D+00
      3  -0.463605D+01 -0.917787D+02  0.794027D+01
      4   0.268716D+02  0.161375D+02 -0.309189D+02
      5  -0.147586D+02 -0.271942D+02 -0.864273D+01
      6  -0.591554D+01 -0.113159D+02  0.884992D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.534117D+01  0.956630D+00  0.897786D+00  0.103016D+01 -0.179243D+01
      2   0.956630D+00 -0.719875D+00 -0.301408D-01 -0.179243D+01 -0.615928D+01
      3   0.897786D+00 -0.301408D-01  0.152070D+01  0.462635D+00  0.760531D+00
                 6             7             8             9            10 
      1   0.462635D+00  0.326209D+01  0.981065D+00  0.336102D-01  0.961944D+01
      2   0.760531D+00  0.981065D+00  0.731506D+00 -0.462018D+00  0.331073D+01
      3   0.710665D+00  0.336102D-01 -0.462018D+00  0.367624D+01 -0.459235D+00
                11            12            13            14            15 
      1   0.331073D+01 -0.459235D+00  0.100826D+02  0.356170D+01 -0.327184D+01
      2   0.512595D+01 -0.187630D+01  0.356170D+01  0.460618D+00  0.247423D+00
      3  -0.187630D+01  0.115648D+01 -0.327184D+01  0.247423D+00  0.196245D+01
                16            17            18            19            20 
      1  -0.566917D+01  0.587717D-01  0.302844D+01  0.140002D+02 -0.299787D+01
      2   0.587717D-01 -0.270588D+01  0.135739D+01 -0.299787D+01  0.251028D+01
      3   0.302844D+01  0.135739D+01 -0.193014D+01  0.485963D+01 -0.148049D+01
                21            22            23            24            25 
      1   0.485963D+01 -0.976632D+01  0.588572D+00  0.357985D+01  0.438717D+01
      2  -0.148049D+01  0.588572D+00 -0.707830D+00 -0.339262D+00  0.262489D+01
      3   0.278984D+01  0.357985D+01 -0.339262D+00 -0.627785D+00 -0.192135D+01
                26            27            28            29            30 
      1   0.262489D+01 -0.192135D+01 -0.659542D+01  0.741980D+00 -0.333692D+01
      2  -0.275112D+01 -0.133894D+00  0.741980D+00  0.574629D+00  0.111184D+01
      3  -0.133894D+00  0.383611D+00 -0.333692D+01  0.111184D+01 -0.320877D+01
                31            32            33            34            35 
      1   0.179754D+01 -0.141528D+01  0.544244D+00 -0.533352D+01  0.135901D+01
      2  -0.141528D+01  0.511942D+01 -0.440461D+00  0.135901D+01  0.816430D+00
      3   0.544244D+00 -0.440461D+00 -0.571277D+00 -0.522763D+01 -0.447976D+00
                36            37            38            39            40 
      1  -0.522763D+01 -0.678555D+01  0.462833D+01  0.913939D+00  0.548786D+01
      2  -0.447976D+00  0.462833D+01 -0.855911D+00 -0.208417D+00 -0.976239D+00
      3  -0.174445D+01  0.913939D+00 -0.208417D+00  0.278867D+01 -0.139022D+00
                41            42            43            44            45 
      1  -0.976239D+00 -0.139022D+00 -0.105968D+00 -0.541710D-01  0.348312D+01
      2  -0.219342D+01  0.826315D+00 -0.541710D-01  0.732179D+00  0.191037D+01
      3   0.826315D+00  0.185057D+01  0.348312D+01  0.191037D+01  0.493516D+00
                46            47            48            49            50 
      1   0.216468D+01 -0.348397D+01  0.491506D+00 -0.599633D+01 -0.110048D+01
      2  -0.348397D+01 -0.549048D+00  0.319124D+00 -0.110048D+01  0.244637D+01
      3   0.491506D+00  0.319124D+00 -0.357360D+01  0.456075D+00 -0.493956D+00
                51            52            53            54            55 
      1   0.456075D+00  0.220258D+01  0.415273D+00 -0.629543D+01  0.357256D+01
      2  -0.493956D+00  0.415273D+00 -0.454981D+00 -0.310348D+01  0.174729D+01
      3  -0.252753D+01 -0.629543D+01 -0.310348D+01  0.804161D+00  0.713203D+00
                56            57            58            59            60 
      1   0.174729D+01  0.713203D+00 -0.115822D+01 -0.439876D+00  0.169572D+01
      2  -0.253375D+01  0.414099D+00 -0.439876D+00  0.111528D+01 -0.149324D+00
      3   0.414099D+00  0.481721D+01  0.169572D+01 -0.149324D+00 -0.110175D+01
                61            62            63            64            65 
      1   0.496908D+01 -0.176285D+01  0.628884D+01 -0.150860D+01 -0.109431D+01
      2  -0.176285D+01  0.122681D+01  0.838312D+00 -0.109431D+01  0.290447D+00
      3   0.628884D+01  0.838312D+00  0.693995D+01  0.159209D+01  0.177298D+01
                66            67            68            69            70 
      1   0.159209D+01  0.146661D+01  0.101691D+01  0.158856D+00 -0.675590D+00
      2   0.177298D+01  0.101691D+01 -0.112020D+01  0.132439D+01 -0.899361D+00
      3   0.665643D+00  0.158856D+00  0.132439D+01  0.433813D+01  0.193602D+01
                71            72            73            74            75 
      1  -0.899361D+00  0.193602D+01 -0.535057D+01  0.148233D+01 -0.183777D+00
      2   0.443337D+01  0.292412D+01  0.148233D+01 -0.118697D+01  0.344730D+01
      3   0.292412D+01  0.810133D+01 -0.183777D+00  0.344730D+01  0.266253D+00
                76            77            78            79            80 
      1   0.117529D+01  0.378827D+00 -0.618138D+00 -0.963138D-02  0.237890D+01
      2   0.378827D+00  0.123430D+02  0.144933D+01  0.237890D+01  0.151251D+01
      3  -0.618138D+00  0.144933D+01  0.165596D+01 -0.940052D+00  0.594519D+00
                81            82            83            84            85 
      1  -0.940052D+00  0.716858D+00 -0.273247D+01 -0.184028D+01 -0.107802D+01
      2   0.594519D+00 -0.273247D+01 -0.449722D+01 -0.678272D+00 -0.290676D+01
      3  -0.246456D+01 -0.184028D+01 -0.678272D+00  0.177016D+01  0.326000D+00
                86            87            88            89            90 
      1  -0.290676D+01  0.326000D+00 -0.135550D+01 -0.274915D-01  0.245290D+01
      2  -0.755270D+01 -0.128143D+01 -0.274915D-01  0.102387D+01 -0.112609D+01
      3  -0.128143D+01  0.394662D-01  0.245290D+01 -0.112609D+01  0.555966D+00
                91            92            93            94            95 
      1  -0.853941D+00 -0.263353D+01  0.187598D+01 -0.668604D+00  0.268139D+01
      2  -0.263353D+01  0.437637D+01 -0.842707D+00  0.268139D+01 -0.742971D+01
      3   0.187598D+01 -0.842707D+00 -0.175329D+01  0.129462D+00  0.144933D+01
                96            97            98            99           100 
      1   0.129462D+00  0.838123D+00 -0.184352D+00 -0.241947D+01  0.694335D+01
      2   0.144933D+01 -0.184352D+00 -0.945341D+00 -0.116275D+01  0.894983D+00
      3   0.211695D-01 -0.241947D+01 -0.116275D+01 -0.553305D+00  0.156734D-01
               101           102           103           104           105 
      1   0.894983D+00  0.156734D-01  0.778243D-01  0.452538D+00 -0.533647D+00
      2   0.184797D+01  0.294532D+01  0.452538D+00  0.115871D+02 -0.144239D+01
      3   0.294532D+01 -0.294430D+00 -0.533647D+00 -0.144239D+01  0.147595D+01
               106           107           108           109           110 
      1   0.568841D+00  0.246654D+01  0.106655D+01 -0.956100D+01  0.392050D+01
      2   0.246654D+01 -0.144952D+01  0.104435D+01  0.392050D+01 -0.610126D+01
      3   0.106655D+01  0.104435D+01  0.246277D+01 -0.548759D-01 -0.153728D+01
               111           112           113           114           115 
      1  -0.548759D-01  0.993880D+01 -0.432367D+01 -0.227868D+01  0.661780D+01
      2  -0.153728D+01 -0.432367D+01  0.765633D+00  0.220586D-01 -0.192792D+00
      3  -0.463150D+00 -0.227868D+01  0.220586D-01  0.172744D+01 -0.308860D+01
               116           117           118           119           120 
      1  -0.192792D+00 -0.308860D+01 -0.151127D+02 -0.292998D+01 -0.502824D+01
      2   0.270185D+01  0.122918D+01 -0.292998D+01 -0.278039D+01 -0.122002D+01
      3   0.122918D+01  0.142007D+01 -0.502824D+01 -0.122002D+01 -0.325069D+01
               121           122           123           124           125 
      1  -0.851557D+01 -0.432976D+00  0.352047D+01 -0.437077D+01  0.262255D+01
      2  -0.432976D+00 -0.466104D+00  0.198784D+00  0.262255D+01  0.249133D+01
      3   0.352047D+01  0.198784D+00 -0.853962D+00  0.157491D+01 -0.229317D+00
               126           127           128           129           130 
      1   0.157491D+01 -0.249126D+01  0.234016D+01  0.259991D+00 -0.548715D+00
      2  -0.229317D+00  0.234016D+01  0.270009D+01  0.621754D+00  0.761044D+00
      3  -0.897234D+00  0.259991D+00  0.621754D+00 -0.467907D+01  0.170848D+01
               131           132           133           134           135 
      1   0.761044D+00  0.170848D+01 -0.514938D+01 -0.194620D+01 -0.619345D+01
      2   0.878852D+00  0.305750D+00 -0.194620D+01 -0.875136D+00  0.837555D+00
      3   0.305750D+00 -0.830410D+00 -0.619345D+01  0.837555D+00 -0.749037D+01
               136           137           138           139           140 
      1   0.438714D+00 -0.114278D+01 -0.142553D+01  0.138315D+01 -0.144067D+01
      2  -0.114278D+01 -0.235726D-01  0.154210D+01 -0.144067D+01 -0.116657D+01
      3  -0.142553D+01  0.154210D+01 -0.449641D+00 -0.239120D+00 -0.172945D+01
               141           142           143           144           145 
      1  -0.239120D+00 -0.995246D-01 -0.131777D+01 -0.161558D+01  0.437231D+01
      2  -0.172945D+01 -0.131777D+01 -0.443035D+01  0.264300D+01 -0.230363D+01
      3   0.421907D+01 -0.161558D+01  0.264300D+01 -0.814972D+01 -0.799121D+00
               146           147           148           149           150 
      1  -0.230363D+01 -0.799121D+00 -0.512044D+01  0.627610D+01 -0.781679D+00
      2   0.343290D+01 -0.147449D+01  0.627610D+01 -0.527494D+01 -0.393128D+00
      3  -0.147449D+01 -0.113615D+01 -0.781679D+00 -0.393128D+00 -0.124557D+01
               151           152           153           154           155 
      1  -0.150620D+01 -0.258893D+01 -0.387249D+00  0.536421D+00 -0.241487D+01
      2  -0.258893D+01  0.785628D-01 -0.205701D+01 -0.241487D+01 -0.563689D+00
      3  -0.387249D+00 -0.205701D+01 -0.153210D+01 -0.233936D+01  0.334369D+01
               156           157           158           159           160 
      1  -0.233936D+01 -0.389163D+01 -0.409792D+00  0.427683D+01 -0.232608D+01
      2   0.334369D+01 -0.409792D+00  0.732608D+00 -0.143815D+01  0.387607D+01
      3   0.163635D+01  0.427683D+01 -0.143815D+01  0.628181D+00  0.185368D+01
               161           162           163           164           165 
      1   0.387607D+01  0.185368D+01  0.462933D+01  0.292737D+01  0.634242D+00
      2  -0.136064D+01  0.101929D+01  0.292737D+01  0.142715D+01 -0.289977D+01
      3   0.101929D+01 -0.127158D+01  0.634242D+00 -0.289977D+01 -0.461425D+00
               166           167           168           169           170 
      1   0.505625D+01  0.259418D+01 -0.427036D+01  0.684432D+00 -0.437482D+01
      2   0.259418D+01 -0.458178D+00  0.853239D+00 -0.437482D+01  0.678286D+00
      3  -0.427036D+01  0.853239D+00 -0.177880D+01  0.356281D+00 -0.193507D+01
               171           172           173           174           175 
      1   0.356281D+00  0.356263D+01  0.262935D+00  0.537932D+00  0.288832D+01
      2  -0.193507D+01  0.262935D+00  0.543265D+00  0.239300D+01  0.241359D+01
      3   0.510348D+00  0.537932D+00  0.239300D+01  0.194961D+01  0.279328D+01
               176           177           178           179           180 
      1   0.241359D+01  0.279328D+01 -0.286786D+00  0.216936D+01  0.312949D+01
      2   0.313354D+01 -0.408909D+00  0.216936D+01 -0.845718D+00  0.292992D+01
      3  -0.408909D+00  0.215074D+01  0.312949D+01  0.292992D+01  0.271854D+01
               181           182           183           184           185 
      1  -0.426382D+00 -0.642040D+01  0.283520D+00  0.583578D+00 -0.376988D+00
      2  -0.642040D+01 -0.386409D+00 -0.233452D+01 -0.376988D+00 -0.979481D+01
      3   0.283520D+00 -0.233452D+01 -0.827079D-01 -0.117244D+01  0.223572D+00
               186           187           188           189           190 
      1  -0.117244D+01 -0.600025D-01 -0.338817D+01  0.850682D-01  0.846858D+01
      2   0.223572D+00 -0.338817D+01  0.191480D+00 -0.475187D+01 -0.123133D+01
      3  -0.170613D+01  0.850682D-01 -0.475187D+01  0.414134D+00 -0.197151D+00
               191           192           193           194           195 
      1  -0.123133D+01 -0.197151D+00 -0.418070D+01  0.118160D+01 -0.523347D+00
      2   0.356311D+00  0.531999D+00  0.118160D+01 -0.999484D+01 -0.225453D+01
      3   0.531999D+00  0.138080D+01 -0.523347D+00 -0.225453D+01 -0.263531D+01
               196           197           198           199           200 
      1  -0.340775D+01  0.683048D+00  0.396974D+00 -0.891581D+01 -0.643271D+00
      2   0.683048D+00 -0.159653D+01 -0.294376D+01 -0.643271D+00 -0.713121D+00
      3   0.396974D+00 -0.294376D+01 -0.661611D+01  0.219910D+00  0.397326D+00
               201           202           203           204           205 
      1   0.219910D+00 -0.328531D+01 -0.150551D+01 -0.282054D+00  0.303755D+01
      2   0.397326D+00 -0.150551D+01 -0.900570D+01  0.243689D+01  0.653172D+00
      3  -0.157643D+01 -0.282054D+00  0.243689D+01 -0.237409D+01 -0.720778D+00
               206           207           208           209           210 
      1   0.653172D+00 -0.720778D+00 -0.222769D+01  0.103058D+01  0.246133D+01
      2   0.166636D+01 -0.261527D+01  0.103058D+01 -0.770941D+00 -0.136119D+01
      3  -0.261527D+01  0.711844D+01  0.246133D+01 -0.136119D+01 -0.418115D+01
               211           212           213           214           215 
      1   0.951778D+00 -0.504106D+00 -0.627257D+00  0.223810D+01 -0.361102D+00
      2  -0.504106D+00  0.638191D+00  0.442138D+00 -0.361102D+00  0.686813D+00
      3  -0.627257D+00  0.442138D+00 -0.830158D-01 -0.233624D+01  0.214763D+00
               216           217           218           219           220 
      1  -0.233624D+01  0.234731D+00 -0.396183D+00 -0.322286D-01 -0.106737D+01
      2   0.214763D+00 -0.396183D+00  0.313814D+00 -0.329059D-01  0.898784D+00
      3   0.376226D+01 -0.322286D-01 -0.329059D-01 -0.907333D+00 -0.119744D+01
               221           222           223           224           225 
      1   0.898784D+00 -0.119744D+01  0.489863D+00 -0.234672D+00 -0.751637D-01
      2  -0.332333D+01  0.340932D+01 -0.234672D+00  0.222202D+01 -0.263989D+01
      3   0.340932D+01 -0.447290D+01 -0.751637D-01 -0.263989D+01  0.408910D+01
               226           227           228           229           230 
      1  -0.149076D+01 -0.546158D+00 -0.709214D+00 -0.163731D+01 -0.122008D+00
      2  -0.546158D+00 -0.426523D+00  0.207946D+00 -0.122008D+00  0.731194D+00
      3  -0.709214D+00  0.207946D+00 -0.932893D+00  0.375810D-02 -0.671100D+00
               231           232           233           234           235 
      1   0.375810D-02 -0.377839D+01 -0.654352D+00  0.898870D+00 -0.272060D+00
      2  -0.671100D+00 -0.654352D+00 -0.116785D+01  0.116280D+01  0.106848D+01
      3  -0.554955D+00  0.898870D+00  0.116280D+01 -0.544330D+01  0.125904D+00
               236           237           238           239           240 
      1   0.106848D+01  0.125904D+00  0.318161D+01  0.182190D+01 -0.731089D+00
      2   0.660063D+00 -0.758180D-01  0.182190D+01  0.867744D+01 -0.125284D+01
      3  -0.758180D-01 -0.263554D+00 -0.731089D+00 -0.125284D+01  0.818981D+00
               241           242           243           244           245 
      1   0.756954D-01  0.125382D-01  0.110793D+00  0.578094D+01  0.204362D+01
      2   0.125382D-01  0.833662D-01  0.896853D+00  0.204362D+01  0.123830D+01
      3   0.110793D+00  0.896853D+00 -0.425092D+00 -0.329434D+01 -0.104224D+01
               246           247           248           249           250 
      1  -0.329434D+01  0.249279D+01  0.182434D+01 -0.117944D+01 -0.585759D+01
      2  -0.104224D+01  0.182434D+01  0.116090D+01 -0.134236D+01 -0.180585D+01
      3   0.246411D+01 -0.117944D+01 -0.134236D+01  0.135452D+01  0.484015D+01
               251           252           253           254           255 
      1  -0.180585D+01  0.484015D+01  0.411700D+01  0.193582D+01  0.173416D+01
      2  -0.169241D+01  0.217693D+01  0.193582D+01  0.123996D+01  0.630189D+00
      3   0.217693D+01 -0.470434D+01  0.173416D+01  0.630189D+00  0.149584D+01
               256           257           258           259           260 
      1   0.285424D+01  0.178946D+01  0.749448D+00  0.421358D+01  0.154851D+01
      2   0.178946D+01  0.147733D+01  0.104917D+01  0.154851D+01  0.189240D+01
      3   0.749448D+00  0.104917D+01  0.111482D+01  0.287866D+01  0.166642D+01
               261           262           263           264           265 
      1   0.287866D+01 -0.238901D+01 -0.141559D+01 -0.933160D+00 -0.195050D+01
      2   0.166642D+01 -0.141559D+01 -0.478730D+00 -0.200849D+00 -0.152134D+00
      3   0.287889D+01 -0.933160D+00 -0.200849D+00 -0.124758D+01  0.227759D-01
               266           267           268           269           270 
      1  -0.152134D+00  0.227759D-01 -0.164641D+01 -0.145227D+00 -0.297611D+00
      2  -0.794378D+00 -0.883270D+00 -0.145227D+00 -0.165446D+01 -0.152078D+01
      3  -0.883270D+00 -0.116676D+01 -0.297611D+00 -0.152078D+01 -0.357028D+01
               271           272           273           274           275 
      1   0.127771D+02 -0.412135D+01 -0.160972D+01 -0.411582D+01  0.287325D+01
      2  -0.412135D+01  0.238150D+01  0.357320D+00  0.287325D+01 -0.176907D+01
      3  -0.160972D+01  0.357320D+00  0.763173D+00  0.567953D+00 -0.387372D+00
               276           277           278           279           280 
      1   0.567953D+00 -0.509774D+00  0.277645D+00  0.117184D+01  0.815680D+01
      2  -0.387372D+00  0.277645D+00 -0.160545D+00 -0.741002D+00 -0.130196D+01
      3  -0.592719D+00  0.117184D+01 -0.741002D+00 -0.332540D+00  0.372705D+01
               281           282           283           284           285 
      1  -0.130196D+01  0.372705D+01  0.331030D+00  0.130487D+01 -0.326042D-01
      2   0.742417D+00 -0.813946D+00  0.130487D+01 -0.868834D+00  0.753703D+00
      3  -0.813946D+00  0.295924D+01 -0.326042D-01  0.753703D+00  0.306946D+00
               286           287           288           289           290 
      1   0.706618D+01 -0.181063D+01  0.471347D+01 -0.154496D+00 -0.103345D+01
      2  -0.181063D+01  0.111449D+01 -0.105876D+01 -0.103345D+01 -0.365799D+00
      3   0.471347D+01 -0.105876D+01  0.492191D+01  0.715298D-01  0.183708D+00
               291           292           293           294           295 
      1   0.715298D-01 -0.310006D+01  0.208908D+01 -0.178622D+00  0.534357D+00
      2   0.183708D+00  0.208908D+01 -0.733453D+01  0.974059D+00 -0.332700D+00
      3   0.226116D+00 -0.178622D+00  0.974059D+00 -0.878289D+00  0.920279D+00
               296           297           298           299           300 
      1  -0.332700D+00  0.920279D+00  0.257841D+01  0.317152D+01  0.962939D+00
      2   0.220904D+00 -0.616890D+00  0.317152D+01  0.620606D+01  0.111708D+01
      3  -0.616890D+00  0.692016D+00  0.962939D+00  0.111708D+01  0.609452D+00
               301           302           303           304           305 
      1   0.232650D+01  0.295296D+01  0.699276D+00  0.532939D+00  0.621035D+00
      2   0.295296D+01  0.107037D+02  0.161451D+01  0.621035D+00  0.742099D+00
      3   0.699276D+00  0.161451D+01  0.111392D+01  0.402799D+00  0.171686D+01
               306           307           308           309           310 
      1   0.402799D+00 -0.388200D+01  0.119839D+01  0.147890D+01  0.236502D+00
      2   0.171686D+01  0.119839D+01 -0.153517D+01 -0.109042D+01 -0.770201D+00
      3   0.643008D+00  0.147890D+01 -0.109042D+01 -0.178442D+01 -0.492005D+00
               311           312           313           314           315 
      1  -0.770201D+00 -0.492005D+00  0.172035D+01 -0.988971D+00 -0.154363D+01
      2   0.169159D+01  0.112511D+01 -0.988971D+00  0.219867D+01  0.151078D+01
      3   0.112511D+01  0.814819D+00 -0.154363D+01  0.151078D+01  0.262857D+01
               316           317           318           319           320 
      1   0.380395D+01  0.114473D+01 -0.172322D+01  0.893807D-01  0.729160D+00
      2   0.114473D+01  0.153768D+01 -0.103571D+01  0.729160D+00  0.147261D+01
      3  -0.172322D+01 -0.103571D+01  0.186257D+01 -0.338616D+00 -0.108104D+01
               321           322           323           324           325 
      1  -0.338616D+00 -0.142831D+01 -0.104386D+01  0.149397D+01 -0.245980D+01
      2  -0.108104D+01 -0.104386D+01 -0.206189D+01  0.148622D+01  0.298852D+01
      3   0.735668D+00  0.149397D+01  0.148622D+01 -0.266247D+01 -0.972596D+00
               326           327           328           329           330 
      1   0.298852D+01 -0.972596D+00  0.217393D+01 -0.278278D+01  0.745472D+00
      2  -0.614501D+01  0.123227D+01 -0.278278D+01  0.106585D+02 -0.176174D+01
      3   0.123227D+01 -0.643661D+00  0.745472D+00 -0.176174D+01  0.117722D+01
               331           332           333           334           335 
      1  -0.504717D+00  0.679028D+00 -0.405223D+00  0.400544D+01  0.113247D+01
      2   0.679028D+00 -0.924326D+00  0.174465D+01  0.113247D+01  0.725946D+00
      3  -0.405223D+00  0.174465D+01 -0.720572D+00 -0.258181D+01 -0.121831D+01
               336           337           338           339           340 
      1  -0.258181D+01  0.110457D+01  0.549336D+00 -0.481617D+00 -0.195757D+01
      2  -0.121831D+01  0.549336D+00  0.579517D+00 -0.402590D+00 -0.273931D+00
      3   0.406848D+01 -0.481617D+00 -0.402590D+00 -0.298047D+00  0.229306D+01
               341           342           343           344           345 
      1  -0.273931D+00  0.229306D+01 -0.207306D+00 -0.426932D+00 -0.101753D+00
      2  -0.653066D+00  0.732605D-01 -0.426932D+00 -0.340823D+00 -0.371269D-01
      3   0.732605D-01 -0.344797D+01 -0.101753D+00 -0.371269D-01  0.945884D+00
               346           347           348           349           350 
      1  -0.104740D+01 -0.809682D+00 -0.110081D+01 -0.473215D+00 -0.189333D+00
      2  -0.809682D+00 -0.330032D+01 -0.338885D+01 -0.189333D+00 -0.228751D+01
      3  -0.110081D+01 -0.338885D+01 -0.450390D+01  0.154089D+00 -0.265101D+01
               351           352           353           354           355 
      1   0.154089D+00 -0.481922D+01  0.286445D+01  0.917638D-01  0.525671D+01
      2  -0.265101D+01  0.286445D+01 -0.321186D+01  0.335208D+00 -0.495542D+01
      3  -0.387054D+01  0.917638D-01  0.335208D+00 -0.274258D+00 -0.405038D+00
               356           357           358           359           360 
      1  -0.495542D+01 -0.405038D+00 -0.216293D+01  0.175158D+01 -0.450830D+00
      2   0.763065D+01 -0.795099D-01  0.175158D+01 -0.208681D+01  0.118295D+01
      3  -0.795099D-01  0.987698D+00 -0.450830D+00  0.118295D+01 -0.591323D+00
               361           362           363           364           365 
      1   0.352819D+01  0.753179D+00  0.762231D+00  0.174727D+01 -0.293637D+00
      2   0.753179D+00  0.713270D+00  0.833066D+00 -0.293637D+00  0.226558D+01
      3   0.762231D+00  0.833066D+00  0.105820D+01  0.688122D-01  0.133947D+01
               366           367           368           369           370 
      1   0.688122D-01  0.212963D+01  0.618520D+00 -0.856409D-02 -0.766510D+01
      2   0.133947D+01  0.618520D+00  0.174545D+01  0.227626D+01  0.245668D+01
      3   0.120313D+01 -0.856409D-02  0.227626D+01  0.365548D+01  0.383281D+01
               371           372           373           374           375 
      1   0.245668D+01  0.383281D+01  0.375312D+01 -0.221135D+01 -0.225032D+01
      2  -0.143144D+01 -0.170728D+01 -0.221135D+01  0.199760D+01  0.175897D+01
      3  -0.170728D+01 -0.286610D+01 -0.225032D+01  0.175897D+01  0.171527D+01
               376           377           378           379           380 
      1   0.375429D+01 -0.155382D+01 -0.352522D+01  0.187968D+01 -0.731601D+00
      2  -0.155382D+01  0.116417D+01  0.140660D+01 -0.731601D+00  0.639492D+00
      3  -0.352522D+01  0.140660D+01  0.348443D+01  0.944387D+00 -0.613837D+00
               381           382           383           384           385 
      1   0.944387D+00 -0.140447D+01  0.389036D+00 -0.649128D+00  0.164996D+01
      2  -0.613837D+00  0.389036D+00 -0.174663D+01  0.134553D+01 -0.561638D+00
      3   0.454210D+00 -0.649128D+00  0.134553D+01 -0.181607D+01 -0.293197D+00
               386           387           388           389           390 
      1  -0.561638D+00 -0.293197D+00 -0.105776D+02 -0.361951D+01  0.123746D+01
      2   0.135502D+01 -0.119028D+01 -0.361951D+01 -0.201196D+01  0.582023D+00
      3  -0.119028D+01  0.313672D+01  0.123746D+01  0.582023D+00 -0.848045D+00
               391           392           393           394           395 
      1  -0.599612D+01 -0.337481D+01  0.106751D+01  0.300144D+01  0.144726D+01
      2  -0.337481D+01 -0.254392D+01  0.307156D+00  0.144726D+01  0.605226D+00
      3   0.106751D+01  0.307156D+00 -0.485397D+00 -0.170831D+01 -0.457869D+00
               396           397           398           399           400 
      1  -0.170831D+01 -0.445614D+01  0.129834D+01 -0.180729D+01  0.318379D+01
      2  -0.457869D+00  0.129834D+01 -0.105909D+01  0.810264D+00 -0.236257D+01
      3   0.817236D+00 -0.180729D+01  0.810264D+00 -0.110828D+01  0.189788D+01
               401           402           403           404           405 
      1  -0.236257D+01  0.189788D+01 -0.366216D+01  0.163085D+01 -0.221245D+01
      2   0.245295D+01 -0.137843D+01  0.163085D+01 -0.135088D+01  0.139403D+01
      3  -0.137843D+01  0.188920D+01 -0.221245D+01  0.139403D+01 -0.278416D+01
               406           407           408           409           410 
      1   0.100228D+01 -0.131783D+01  0.912682D+00 -0.394580D+01 -0.167008D+01
      2  -0.131783D+01  0.192429D+00  0.416754D-01 -0.167008D+01 -0.524517D+01
      3   0.912682D+00  0.416754D-01  0.198527D+00 -0.226889D+00  0.562615D+00
               411           412           413           414           415 
      1  -0.226889D+00  0.306586D+01  0.209248D+00 -0.235705D+00 -0.334606D+01
      2   0.562615D+00  0.209248D+00  0.148084D+01 -0.127538D+01 -0.136102D+01
      3  -0.108211D+01 -0.235705D+00 -0.127538D+01  0.499273D+00 -0.220874D+01
               416           417           418           419           420 
      1  -0.136102D+01 -0.220874D+01 -0.217654D+01 -0.199919D+01 -0.147358D+01
      2  -0.108775D+01 -0.135923D+01 -0.199919D+01 -0.246975D+01 -0.177925D+01
      3  -0.135923D+01 -0.186091D+01 -0.147358D+01 -0.177925D+01 -0.182519D+01
               421           422           423 
      1  -0.470295D+01 -0.239184D+01 -0.366212D+01
      2  -0.239184D+01 -0.234103D+01 -0.311701D+01
      3  -0.366212D+01 -0.311701D+01 -0.560582D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.713180D+01  0.563456D+00 -0.381827D+01  0.324131D+01  0.664274D+01
      2   0.373503D+00  0.256077D+01  0.111302D+02  0.878033D+01  0.478534D+01
      3  -0.191856D+02  0.428674D+01  0.290661D+01  0.152150D+02  0.195775D+02
                 6             7             8             9            10 
      1  -0.520031D+01  0.185916D+01  0.650163D+01 -0.119384D+02  0.414602D+00
      2   0.393979D+01 -0.960434D+01 -0.340983D+01  0.234020D+02 -0.207911D+02
      3  -0.246598D+01  0.212215D+01  0.193107D+01  0.795809D+00  0.118050D+02
                11            12            13            14            15 
      1   0.158049D+02 -0.179156D+01  0.268824D+02 -0.488668D+01 -0.437624D+01
      2  -0.139101D+02  0.158308D+01 -0.384108D+02 -0.585815D+01  0.135767D+02
      3  -0.129346D+02  0.668288D+01  0.420417D+01  0.101526D+02 -0.111612D+02
                16            17            18            19            20 
      1   0.192987D+01 -0.875763D+01  0.101345D+02 -0.894734D+01  0.111674D+02
      2   0.835669D+01  0.197914D+01 -0.182716D+02 -0.275262D+02  0.138986D+01
      3  -0.520599D+01  0.628570D+01  0.221310D+01  0.169075D+02 -0.102644D+02
                21            22            23            24            25 
      1  -0.886027D+01 -0.321230D+01 -0.607476D+00 -0.219244D+01  0.734212D+01
      2  -0.591692D+01  0.308746D+02 -0.104768D+02 -0.155155D+02 -0.352388D+02
      3   0.792172D+01 -0.168998D+01  0.100975D+01  0.131979D+02  0.315034D+01
                26            27            28            29            30 
      1  -0.616290D+01 -0.173265D+01 -0.110160D+01  0.253702D+01 -0.322269D+01
      2  -0.675699D+01  0.667868D+01 -0.500021D+00  0.116147D+01 -0.602490D+01
      3   0.151362D+02 -0.559971D+01  0.302337D+01 -0.547802D+01 -0.364325D+00
                31            32            33            34            35 
      1   0.103028D+01  0.958439D+01 -0.541113D+01 -0.870083D+01  0.112793D+01
      2  -0.346223D+01  0.433242D+01 -0.529574D+01 -0.174447D+02 -0.341886D+01
      3   0.129289D+02 -0.267081D+02 -0.107218D+01  0.369089D+00 -0.645302D+01
                36            37            38            39            40 
      1  -0.300602D+00 -0.406314D+01  0.314077D+00  0.256375D+01  0.438060D+00
      2   0.103722D+01 -0.267521D+01  0.282846D+01  0.182676D+02  0.221853D+01
      3   0.888349D+01 -0.205319D+02 -0.243183D+01  0.527914D+00  0.818563D+00
                41            42            43            44            45 
      1   0.275973D+01 -0.132161D+01  0.340491D+01  0.336121D+01 -0.236236D+01
      2   0.508167D+01  0.102960D+02  0.188349D+02  0.109491D+02  0.471596D+01
      3   0.158022D+02 -0.524219D+01 -0.128168D+01 -0.460755D+01 -0.128594D+02
                46            47            48            49            50 
      1   0.490095D+01 -0.258499D+00  0.355426D+01 -0.219489D+01 -0.360070D+01
      2   0.578715D+01 -0.128420D+01 -0.183500D+02 -0.148274D+01 -0.418584D+01
      3   0.254806D+02 -0.416651D+01 -0.185329D+01 -0.174539D+01 -0.166159D+02
                51            52            53            54            55 
      1   0.251305D+01  0.683608D+01  0.707609D+01  0.117100D+01  0.316087D+01
      2  -0.120318D+02 -0.378011D+02 -0.162001D+02  0.191713D+00 -0.118366D+02
      3   0.470257D+01  0.817970D+00  0.322765D+01  0.822825D+01  0.178188D+02
                56            57            58            59            60 
      1  -0.103602D+02  0.341232D+01 -0.977412D+01 -0.405757D+01 -0.307427D+01
      2  -0.311951D+01  0.155190D+02  0.168524D+02  0.502417D+01 -0.546586D+01
      3   0.569680D+01 -0.432934D+01  0.199407D+01  0.261737D+01  0.350662D+01
                61            62            63            64            65 
      1  -0.135694D+02  0.102396D+02 -0.658649D+01 -0.711191D+01 -0.623584D+01
      2   0.759387D+01  0.542803D+01  0.645065D+01  0.236828D+02  0.716160D+01
      3   0.270416D+01 -0.728463D+01  0.826011D+01 -0.157593D+02 -0.144423D+01
                66            67            68            69            70 
      1  -0.921277D-01  0.407009D+01 -0.116462D+02  0.468232D+01 -0.705755D+01
      2   0.414988D+01 -0.260857D+01  0.506635D+01  0.561710D+01  0.339680D+01
      3  -0.752656D+00  0.328935D+01  0.754658D+01 -0.120741D+02 -0.133801D+01
                71            72            73            74            75 
      1   0.962462D+01 -0.860072D+01  0.242795D+02 -0.138654D+02  0.104516D+02
      2   0.819522D+01  0.123976D+02  0.316210D+01 -0.189836D+01  0.401092D+01
      3  -0.677065D+01 -0.933913D+00 -0.246730D+02  0.288664D+01 -0.886975D+01
                76            77            78            79            80 
      1   0.691139D+01  0.393550D+02  0.341804D+01  0.109977D+02  0.756836D+01
      2  -0.760164D+01  0.606142D+01  0.605874D+01  0.227821D+01  0.508594D+01
      3  -0.169124D+01 -0.321771D+02 -0.623639D+01 -0.123118D+02  0.274454D+01
                81            82            83            84            85 
      1   0.165971D+02  0.295811D+01 -0.878540D+00 -0.122525D+02 -0.844054D+01
      2  -0.435851D+01 -0.236912D+01  0.348156D+01  0.558409D+01  0.185343D+01
      3  -0.147428D+02  0.773338D+01 -0.158061D+02 -0.682817D+01 -0.153394D+00
                86            87            88            89            90 
      1  -0.119404D+02 -0.523152D+01 -0.155734D+02  0.662162D+01 -0.107275D+02
      2  -0.375214D+00  0.866748D+00  0.157647D+01  0.167579D+01 -0.299115D+01
      3  -0.359449D+01  0.410503D+01 -0.688243D+01  0.651359D+00  0.143188D+02
                91            92            93            94            95 
      1  -0.267072D+01  0.475360D-01  0.123298D+02 -0.737536D+01  0.111128D+02
      2  -0.179394D+01 -0.384939D+01  0.527736D+01 -0.341163D+00 -0.877227D+00
      3  -0.779867D+01 -0.160202D+02  0.721872D+01  0.988894D+00  0.403698D+01
                96            97            98            99           100 
      1  -0.530476D+01  0.157272D+02  0.692184D+01  0.110576D+02 -0.239396D+02
      2  -0.986970D+00  0.312612D+00 -0.203262D+01 -0.303699D+01  0.974528D+01
      3   0.314516D+01  0.455366D+01  0.351430D+00 -0.140401D+02  0.271784D+02
               101           102           103           104           105 
      1  -0.114266D+02 -0.998292D+01  0.517865D+01 -0.391561D+02  0.451027D+01
      2   0.369726D+01  0.339191D+01  0.524577D+01  0.742190D+01 -0.503411D+01
      3   0.126115D+01  0.660057D+01 -0.177877D+01  0.325228D+02 -0.594891D+01
               106           107           108           109           110 
      1  -0.110084D+02  0.504303D+01 -0.187174D+02  0.321958D+01  0.145901D+02
      2   0.245252D+01 -0.568792D+01 -0.234157D+01 -0.219066D+02  0.116073D+02
      3   0.133541D+02  0.385597D+01  0.164813D+02 -0.121169D+02 -0.141608D+02
               111           112           113           114           115 
      1   0.198677D+00  0.276465D+02  0.247262D+01 -0.379017D+01 -0.434766D+01
      2  -0.205988D+01  0.313765D+02 -0.102921D+02 -0.122519D+02  0.671669D+01
      3  -0.660138D+01  0.134769D+01 -0.114998D+02 -0.717564D+01  0.195739D+01
               116           117           118           119           120 
      1  -0.815217D+01 -0.104114D+02  0.114107D+02  0.118448D+02  0.764068D+01
      2  -0.116855D+01 -0.177462D+02 -0.301608D+02 -0.501897D+01 -0.588118D+01
      3   0.599164D+01 -0.231066D+01 -0.150481D+02 -0.120184D+02 -0.618829D+01
               121           122           123           124           125 
      1  -0.497596D+01  0.152036D+01 -0.280131D+01 -0.916924D+01 -0.605796D+01
      2  -0.286487D+02 -0.772909D+01  0.190686D+02 -0.326078D+02  0.802522D+01
      3   0.186607D+01  0.168949D+01  0.126096D+02  0.473717D-01  0.147069D+02
               126           127           128           129           130 
      1   0.346669D+01 -0.706746D+01 -0.114169D+02 -0.287666D+01 -0.115326D+02
      2   0.905595D+01 -0.133653D+02  0.471342D+01  0.191267D+02 -0.143875D+02
      3   0.470941D+01 -0.139694D+02  0.690127D+01  0.452057D+01  0.409752D+01
               131           132           133           134           135 
      1   0.352739D+01 -0.368006D+01  0.167302D+02  0.923930D+01  0.715753D+01
      2   0.525506D+01  0.521198D+01  0.592729D+01 -0.670449D+01  0.697653D+01
      3  -0.213065D+01  0.281186D+01 -0.533798D+01 -0.673258D+01 -0.744825D+01
               136           137           138           139           140 
      1   0.732216D+01 -0.577690D+01  0.784640D+00  0.719784D+01  0.137381D+02
      2   0.209855D+02 -0.722334D+01  0.395623D+01  0.208748D+01  0.436148D+01
      3   0.130182D+02 -0.174736D+01  0.648685D+00  0.611164D+00 -0.970687D+01
               141           142           143           144           145 
      1   0.565888D+01  0.812352D+01  0.114465D+02  0.974946D+01  0.446394D+01
      2  -0.927761D+01  0.865640D+00 -0.864850D+01  0.129216D+02  0.466419D+01
      3  -0.123044D+02  0.453367D-01 -0.721057D+01 -0.198442D-01  0.226784D+01
               146           147           148           149           150 
      1   0.541024D+01  0.227518D+01  0.599942D+01  0.185911D+00 -0.211391D+00
      2   0.485782D+01  0.930155D+01 -0.555348D+01  0.263660D+01  0.729176D+01
      3   0.381814D+01 -0.104487D+02  0.154051D+02 -0.570091D+01 -0.328748D+01
               151           152           153           154           155 
      1  -0.311948D+01  0.974968D+01  0.580044D+01 -0.402280D+01 -0.318481D+01
      2  -0.506147D+01  0.155047D+02  0.151152D+02  0.959904D+01 -0.134854D+02
      3  -0.106966D+02 -0.560775D+01 -0.109080D+02 -0.150009D+02 -0.729633D+01
               156           157           158           159           160 
      1   0.470399D+01 -0.579812D+01  0.154678D+01 -0.478923D+01  0.701907D+01
      2  -0.232658D+01 -0.187405D+02  0.747694D+01 -0.114855D+02 -0.808474D+01
      3   0.170700D+02 -0.559564D+01  0.504941D+01 -0.272232D+01  0.201593D+02
               161           162           163           164           165 
      1   0.211371D+00  0.262205D+01  0.814681D+00 -0.128897D+01 -0.149712D+01
      2  -0.123274D+02  0.342324D+01 -0.299376D+01  0.183918D+02  0.486726D+01
      3  -0.254973D+01  0.815788D+01  0.176726D+02  0.550772D+01 -0.175651D+02
               166           167           168           169           170 
      1  -0.182065D+01 -0.122146D+01 -0.315178D+01 -0.336557D+01  0.105778D+00
      2   0.290303D+02 -0.324034D+01  0.101246D+02 -0.328825D+01  0.103570D+02
      3   0.166719D+02 -0.372095D+01  0.535928D+01 -0.278488D+02  0.357496D+01
               171           172           173           174           175 
      1  -0.558103D+00 -0.147196D+01  0.327369D+01  0.726992D+00  0.233808D+01
      2  -0.196257D+01  0.567241D+01 -0.910859D+01 -0.552905D+01 -0.704115D+01
      3  -0.107132D+02 -0.151389D+01  0.408107D+00  0.980465D+01  0.127944D+02
               176           177           178           179           180 
      1  -0.925244D+01  0.160358D+01  0.531452D+01  0.116394D+02  0.270631D+01
      2   0.124790D+02 -0.699842D+01 -0.200791D+02 -0.129342D+02 -0.489661D+01
      3   0.136102D+02 -0.105139D+02  0.108529D+02 -0.928729D+01  0.104215D+02
               181           182           183           184           185 
      1   0.176355D+01  0.120166D+02 -0.186838D+00 -0.252221D+02 -0.926802D+00
      2   0.502616D+02  0.322632D+00  0.274059D+02  0.232598D+01 -0.278387D+01
      3  -0.115743D+01 -0.162306D+02 -0.491769D+00  0.726940D+02 -0.152175D+01
               186           187           188           189           190 
      1  -0.488984D+02 -0.211727D+01  0.203748D+02 -0.853225D+00  0.204832D+01
      2  -0.597458D+00 -0.466613D+02  0.636054D+00 -0.236832D+02  0.210580D+01
      3   0.814410D+01 -0.222016D+01 -0.172061D+02  0.128455D+01 -0.110458D+02
               191           192           193           194           195 
      1  -0.533679D+01  0.260653D+00 -0.699162D+01  0.698613D+01 -0.928219D+01
      2   0.461625D+00  0.586524D+01  0.618437D+00  0.744504D+00 -0.217357D+01
      3  -0.977113D+01 -0.171792D+01  0.778164D+01  0.674209D+01  0.662614D+01
               196           197           198           199           200 
      1  -0.435354D-01  0.104536D+02 -0.502355D+01 -0.397907D+01 -0.582905D+01
      2  -0.787061D+01 -0.598660D-01  0.835813D+00  0.319154D+01 -0.573561D+00
      3  -0.194359D+01  0.540973D+01  0.384871D-01  0.915714D+01 -0.105095D+02
               201           202           203           204           205 
      1  -0.803451D+00 -0.782714D+01 -0.593508D+01 -0.702624D+01  0.130411D+00
      2   0.761910D+01 -0.737737D+00  0.161412D+01  0.291668D+01 -0.511646D+01
      3   0.268228D+01  0.491689D+01 -0.593675D+01  0.736339D+01  0.621632D+01
               206           207           208           209           210 
      1   0.110197D+02  0.300001D+01  0.195587D+01 -0.241211D+01  0.238970D+00
      2  -0.842639D+00  0.126365D+01  0.103939D+02 -0.475851D+01 -0.891374D+01
      3   0.526668D+01  0.123527D-01 -0.183558D+01  0.170293D+00  0.319666D+01
               211           212           213           214           215 
      1  -0.123181D+01  0.139941D+01  0.938343D+00  0.161428D+01  0.243766D+01
      2  -0.638317D+01  0.213975D+01  0.146374D+01 -0.121304D+02  0.753594D+00
      3   0.311105D+01 -0.588705D+00 -0.692286D+00  0.372877D+01  0.832232D+00
               216           217           218           219           220 
      1  -0.226097D+01 -0.103206D+01  0.173647D+01 -0.557479D+00  0.233039D+01
      2   0.900120D+01  0.910199D-01  0.939847D+00 -0.125341D+01  0.218299D+01
      3  -0.228723D+01  0.105913D+01 -0.161054D+01 -0.275090D+00  0.104371D+01
               221           222           223           224           225 
      1  -0.850718D+01  0.557424D+01 -0.267218D+00  0.729369D+01 -0.474796D+01
      2   0.367117D+01 -0.475730D+01 -0.242689D+01 -0.480826D+01  0.725434D+01
      3   0.534945D+01 -0.579755D+01 -0.716258D+00 -0.480845D+01  0.503734D+01
               226           227           228           229           230 
      1   0.322883D+01  0.345200D-01  0.228146D+01 -0.432505D+00  0.113638D+01
      2  -0.956839D+01  0.226281D+00 -0.556222D+01 -0.256655D+01 -0.425207D+01
      3  -0.205339D+01  0.167329D+00 -0.262383D+01 -0.194635D+01 -0.242727D+01
               231           232           233           234           235 
      1   0.173582D+01 -0.170194D+01  0.100380D+01  0.127594D+02 -0.227769D+01
      2  -0.229768D+01 -0.503852D+01  0.417795D+01 -0.245917D+02  0.110278D+01
      3   0.285258D+01 -0.484298D+01  0.134270D+01 -0.299680D+01 -0.701491D+01
               236           237           238           239           240 
      1  -0.724281D+00  0.347591D+00  0.663777D+00 -0.701346D+01 -0.327751D+01
      2   0.867866D+00 -0.287376D+00  0.124916D+00 -0.581267D+01  0.337496D+01
      3   0.473805D+00  0.903629D+00  0.649099D+01 -0.287824D+02  0.201649D+01
               241           242           243           244           245 
      1   0.245057D+00 -0.115564D+01  0.282056D+00  0.174763D+01 -0.938991D+00
      2  -0.982837D+00  0.322342D+01 -0.243610D+01 -0.111255D+02 -0.367832D+01
      3   0.766853D+00 -0.113567D+01 -0.320553D+01 -0.379346D+01 -0.557641D+01
               246           247           248           249           250 
      1  -0.291187D+01  0.508763D+00  0.156705D+00 -0.144160D+01 -0.490486D+01
      2   0.121525D+02 -0.364817D+01 -0.537183D+01  0.664351D+01  0.174312D+02
      3   0.144945D+01 -0.415516D+01 -0.379561D+01  0.498690D+01  0.514563D+00
               251           252           253           254           255 
      1   0.125544D+01  0.446488D+01 -0.336765D+01 -0.953714D+00 -0.257290D+01
      2   0.985618D+01 -0.214386D+02  0.958651D+01  0.401973D+01  0.100485D+02
      3   0.810461D+01 -0.494900D+01 -0.534630D+01 -0.587144D+01 -0.678215D+00
               256           257           258           259           260 
      1  -0.181162D+01 -0.164540D+01 -0.338142D+01 -0.394112D+01 -0.149659D+01
      2   0.507523D+01  0.633384D+01  0.653945D+01  0.148609D+02  0.889829D+01
      3  -0.312613D+01 -0.550496D+01 -0.469030D+01 -0.879741D+00 -0.989809D+01
               261           262           263           264           265 
      1  -0.529112D+01  0.143475D+01  0.134015D+01 -0.130858D+01  0.701819D+00
      2   0.178694D+02 -0.110500D+02 -0.409283D+01 -0.816787D+01 -0.299453D+01
      3  -0.468557D+01  0.130295D+02  0.591325D+01  0.276678D+01  0.735228D+01
               266           267           268           269           270 
      1  -0.161510D+00 -0.135367D+01 -0.883224D-01  0.218476D+01 -0.244255D+01
      2  -0.606738D+01 -0.603666D+01 -0.992903D+01 -0.834264D+01 -0.199072D+02
      3   0.547076D+01  0.532987D+01  0.494438D+01  0.889428D+01  0.908389D+01
               271           272           273           274           275 
      1   0.746099D+00 -0.209324D+01  0.155498D+01 -0.999578D+00  0.697626D+00
      2  -0.112698D+01 -0.450675D+00  0.599012D+01  0.366294D-01 -0.507051D+00
      3   0.967911D+01 -0.127165D+02 -0.449124D+00 -0.859692D+01  0.697954D+01
               276           277           278           279           280 
      1  -0.144405D+01  0.446525D+00  0.350482D+00  0.403861D-01  0.274761D+01
      2  -0.395026D+01  0.331692D+01 -0.367848D+01 -0.133850D+01  0.214803D+01
      3   0.125993D+01 -0.660793D+00  0.426024D+00  0.338890D+01 -0.446096D+01
               281           282           283           284           285 
      1   0.369684D+00  0.406975D+01  0.118746D+01 -0.315777D-01  0.551296D+00
      2  -0.840403D+00  0.994639D+01 -0.133193D+01  0.107270D+01  0.181080D+01
      3  -0.391945D+01 -0.143100D+01 -0.529192D+01  0.289881D+01 -0.307804D+01
               286           287           288           289           290 
      1   0.389684D+01  0.238905D+01  0.534951D+01 -0.204749D+01 -0.218462D+01
      2   0.710558D+01 -0.116120D+01  0.144069D+02  0.194205D+01  0.306844D+00
      3  -0.519921D+00 -0.371958D+01 -0.119924D+01  0.675550D+01  0.491839D+01
               291           292           293           294           295 
      1   0.315228D+00  0.166166D+01 -0.827442D+01 -0.355138D+01  0.102547D+00
      2   0.411916D+00  0.317467D+01 -0.108157D+01 -0.390079D+01  0.301994D+00
      3   0.895354D+00 -0.234073D+00  0.326776D+02 -0.289732D+01  0.219997D+01
               296           297           298           299           300 
      1  -0.312674D+00 -0.809534D+00 -0.799755D+00  0.433882D+01 -0.300717D+01
      2  -0.269395D+01 -0.621368D+00 -0.246461D+01 -0.154615D+01  0.710578D+00
      3   0.179015D+01  0.303784D+01  0.108222D+02  0.640948D+01  0.380132D+01
               301           302           303           304           305 
      1  -0.126958D+01  0.589871D+01 -0.644803D+01 -0.139675D+01 -0.452129D+01
      2  -0.206048D+01 -0.387840D+00  0.584234D+00 -0.151862D+01  0.444431D+00
      3   0.113648D+02  0.569663D+01  0.322565D+01  0.248839D+01  0.130329D+01
               306           307           308           309           310 
      1  -0.191447D+00 -0.506578D+01  0.146989D+01  0.766584D+01  0.111047D+01
      2   0.845381D+00  0.105768D+02 -0.769493D+00 -0.178541D+01  0.129481D+01
      3   0.550871D+00 -0.208599D+02  0.277963D+01  0.635559D+01  0.141889D+01
               311           312           313           314           315 
      1  -0.385123D+01 -0.215219D+01  0.553351D+01 -0.277513D+00 -0.798323D+01
      2   0.173668D+01  0.617998D+00 -0.571344D+01  0.194081D+01  0.276755D+01
      3  -0.290607D+01 -0.249561D+01  0.855184D+01 -0.457701D+01 -0.749543D+01
               316           317           318           319           320 
      1   0.564598D+01  0.882122D+00 -0.800295D+01  0.479537D+00  0.407391D+01
      2   0.772128D+01  0.117605D+01 -0.216932D+01 -0.869841D+00  0.986581D+00
      3   0.207130D+02  0.242176D+01 -0.733680D+01  0.458025D+00  0.256159D+01
               321           322           323           324           325 
      1  -0.185654D+01 -0.492304D+01 -0.509032D+00  0.794645D+01  0.108091D+01
      2  -0.921011D-01 -0.473377D+01 -0.186299D+01  0.224964D+01 -0.268461D+01
      3  -0.161072D+01 -0.645974D+01 -0.460353D+01  0.694202D+01 -0.109911D+02
               326           327           328           329           330 
      1   0.409893D+01  0.269929D+01 -0.160527D+01 -0.555187D+01 -0.649763D+01
      2   0.125092D+01  0.702508D+00  0.236765D+01 -0.325797D+00 -0.386730D+00
      3   0.632529D+01 -0.366306D+01  0.110292D+02 -0.625609D+01  0.363786D+01
               331           332           333           334           335 
      1   0.126494D+01 -0.441602D+01  0.491285D+00 -0.275812D+01 -0.244905D+01
      2  -0.166875D+01 -0.212204D+00  0.749281D+00  0.182608D+02  0.541373D+01
      3  -0.251600D+01  0.135143D+01 -0.749496D+00  0.441899D+01 -0.576987D-03
               336           337           338           339           340 
      1  -0.523176D+00 -0.139784D+01 -0.111101D+01  0.112753D+01 -0.195190D+01
      2  -0.826563D+01  0.718114D+01  0.216701D+01 -0.945283D+00 -0.104114D+02
      3  -0.297647D+01  0.289749D+01  0.489376D+00 -0.459746D+00 -0.273430D+01
               341           342           343           344           345 
      1   0.227960D+01  0.220292D+01  0.128314D+01  0.141704D+01  0.427770D+00
      2  -0.117151D+00  0.804556D+01  0.894811D-01 -0.103930D+01 -0.141599D+01
      3   0.106940D+01  0.180660D+01 -0.109806D+01 -0.145512D+01  0.107226D+00
               346           347           348           349           350 
      1   0.192137D+01  0.880853D+01  0.576171D+01  0.513979D+00  0.740314D+01
      2  -0.236981D+01  0.355243D+01  0.470156D+01 -0.267709D+01  0.466204D+01
      3   0.123852D+01 -0.526949D+01 -0.551113D+01  0.609653D+00 -0.482948D+01
               351           352           353           354           355 
      1   0.499297D+01  0.144044D+01 -0.287419D+01  0.257160D+01 -0.217500D+01
      2   0.678002D+01  0.242239D+01 -0.222847D+01  0.290296D+01  0.119993D+01
      3  -0.514582D+01 -0.148628D+01 -0.569523D+01  0.197031D+01 -0.292428D+01
               356           357           358           359           360 
      1   0.450093D+01 -0.492406D+01  0.157169D+01 -0.298974D+01  0.187244D+01
      2   0.128479D+00 -0.537374D+01  0.278414D+00 -0.493491D+01  0.122714D+01
      3   0.170527D+02 -0.130062D+01 -0.145534D+00 -0.415133D+01  0.408825D+01
               361           362           363           364           365 
      1  -0.230506D+00 -0.103777D+01 -0.262840D+01  0.119715D+01 -0.124238D+01
      2  -0.133816D+02 -0.594052D+01 -0.658975D+01 -0.143093D+01 -0.793631D+01
      3   0.164058D+02  0.553620D+01  0.563178D+01  0.566462D+01  0.790088D+01
               366           367           368           369           370 
      1  -0.277831D+01  0.101396D+01 -0.136952D+01 -0.793823D+01  0.417295D+00
      2  -0.593398D+01 -0.762820D+01 -0.113234D+02 -0.166763D+02 -0.670709D+01
      3   0.565050D+01  0.796077D+01  0.849771D+01  0.101969D+02  0.469895D+01
               371           372           373           374           375 
      1  -0.215416D+01  0.275248D+00 -0.647043D+00  0.240018D+01  0.258578D-01
      2   0.492746D+01  0.109228D+02  0.499848D+01 -0.567205D+01 -0.587350D+01
      3  -0.705486D+01 -0.521740D+01 -0.467388D+01  0.909653D+01  0.613772D+01
               376           377           378           379           380 
      1   0.276431D-01  0.239510D+01 -0.111535D+01 -0.197574D+01  0.257407D+01
      2   0.874820D+01 -0.421848D+01 -0.128834D+02 -0.101854D+02  0.546897D+01
      3  -0.441665D+01  0.520547D+01  0.374461D+01 -0.240497D+01  0.413251D+01
               381           382           383           384           385 
      1  -0.233315D+01  0.266706D+01 -0.544753D+01  0.257565D+01 -0.275852D+01
      2  -0.476633D+01  0.855852D+01 -0.886442D+01  0.114012D+02 -0.615092D+01
      3  -0.387167D+01  0.661086D+01 -0.113000D+02  0.672514D+01 -0.448667D+01
               386           387           388           389           390 
      1   0.513123D+01 -0.355417D+01  0.858712D+00 -0.903705D-01 -0.132564D+01
      2   0.822571D+01 -0.148847D+02 -0.836504D+01 -0.411663D+01  0.773761D+01
      3   0.664351D+01 -0.622599D+01 -0.155999D+02 -0.125739D+02  0.283740D+01
               391           392           393           394           395 
      1   0.118194D+01 -0.218189D+00 -0.164870D+01 -0.542556D+00  0.812104D+00
      2  -0.792408D+01 -0.229920D+01  0.435831D+01  0.825977D+01  0.253429D+01
      3  -0.138441D+02 -0.140491D+02  0.103882D+01  0.667734D+01  0.385762D+01
               396           397           398           399           400 
      1   0.102900D+01 -0.117025D+01  0.832400D+00  0.243895D-01  0.917859D+00
      2  -0.590392D+01  0.779089D+01 -0.396521D+01  0.637712D+01 -0.826580D+01
      3  -0.181747D+01  0.605104D+01 -0.723420D+01  0.503832D+01 -0.102828D+02
               401           402           403           404           405 
      1  -0.125449D+01 -0.924158D+00 -0.349251D+00  0.229554D+01  0.186718D-01
      2   0.600333D+01 -0.113476D+02  0.726621D+01 -0.680174D+01  0.148928D+02
      3   0.152885D+02 -0.752740D+01  0.901862D+01 -0.895853D+01  0.765019D+01
               406           407           408           409           410 
      1   0.485547D+01 -0.215322D+01  0.149381D+01  0.712082D+00  0.768410D+01
      2  -0.496400D+01  0.209453D+01 -0.817141D+00 -0.640966D+00 -0.956547D+01
      3  -0.942420D+01  0.437052D+01 -0.413008D+01  0.267812D+01 -0.233040D+02
               411           412           413           414           415 
      1  -0.655675D+01  0.977451D+00 -0.542425D+01  0.500491D+01 -0.196719D+01
      2   0.556307D+01  0.163023D+01  0.864228D+01 -0.828313D+01  0.451923D+01
      3   0.534625D+01 -0.735950D+01  0.964255D+01 -0.987135D+01 -0.136987D+01
               416           417           418           419           420 
      1  -0.739733D+00 -0.231278D+01  0.225866D+00  0.116118D+01 -0.174693D+01
      2   0.376178D+01  0.617315D+01  0.204370D+01  0.382930D+01  0.598251D+01
      3  -0.456316D+01 -0.308847D+01 -0.397945D+01 -0.848346D+01 -0.519141D+01
               421           422           423 
      1  -0.188159D+01  0.211634D+00 -0.555712D+01
      2   0.508303D+01  0.931321D+01  0.193757D+02
      3  -0.300615D+01 -0.770323D+01 -0.912766D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393085D+02  0.102839D+02  0.956954D+01  0.191761D+02  0.154318D+02
      2   0.228510D+02 -0.732478D+01 -0.642630D+00 -0.164887D+02 -0.350503D+02
      3   0.164575D+02 -0.295908D+01 -0.892691D+01 -0.268747D+01  0.196185D+02
      4   0.480437D+00 -0.251730D+01  0.670590D+00 -0.625144D+01 -0.420184D+02
      5   0.721817D+01 -0.236528D+01  0.879767D+01 -0.572413D+00  0.267615D+01
      6  -0.214107D+01  0.179535D+00  0.465796D+01  0.288639D+01  0.773127D+01
                 6             7             8             9            10 
      1   0.880165D+00  0.761306D+01  0.262853D+01  0.157638D+02  0.206076D+02
      2   0.552958D+01 -0.313470D+01 -0.168179D+01  0.373484D+01 -0.187718D+02
      3  -0.640975D+01 -0.447836D+01 -0.946743D+00 -0.194986D+02 -0.183580D+01
      4   0.498889D+01  0.658896D+01  0.176391D+01  0.541095D+01  0.275342D+02
      5   0.487846D+01  0.541275D+01  0.978329D+00  0.157343D+02 -0.593384D+00
      6   0.187992D+01  0.785773D+00  0.819582D+00  0.840053D+01 -0.347979D+01
                11            12            13            14            15 
      1   0.102212D+02 -0.293395D+01  0.464905D+02  0.682174D+01 -0.987617D+01
      2   0.105491D+02  0.158684D+01 -0.126344D+02 -0.122385D+02  0.388485D+01
      3  -0.207704D+02  0.134711D+01 -0.338561D+02  0.541674D+01  0.599133D+01
      4   0.134473D+02 -0.711230D+01  0.171492D+02  0.139121D+02 -0.865993D-01
      5  -0.453848D+01  0.874858D+01 -0.197569D+01 -0.224724D+01  0.148184D+01
      6   0.638485D+01 -0.213161D+01 -0.396183D+00 -0.209703D+01  0.591806D+01
                16            17            18            19            20 
      1  -0.204859D+02  0.445462D+01  0.772974D+01  0.605793D+02 -0.156712D+02
      2   0.399606D+01 -0.915660D+01 -0.313179D+01 -0.339953D+02  0.159150D+02
      3   0.164898D+02  0.470197D+01 -0.459795D+01 -0.265840D+02 -0.243846D+00
      4  -0.157102D+01 -0.780415D+01  0.923802D+01 -0.256138D+02  0.101205D+02
      5   0.162128D+02  0.648277D+01 -0.831576D+01  0.399061D+02 -0.871946D+01
      6   0.561303D+01  0.249382D+01 -0.371032D+01 -0.884564D+01  0.565745D+01
                21            22            23            24            25 
      1   0.142468D+02 -0.471085D+02  0.416838D+01  0.102492D+02  0.267013D+02
      2  -0.177148D+02  0.152210D+02  0.100931D+02 -0.732570D+01 -0.744793D+01
      3   0.346792D+01  0.318875D+02 -0.142615D+02 -0.292352D+01 -0.192534D+02
      4  -0.763490D+01  0.359607D+01 -0.117444D+02  0.506756D+01  0.140084D+02
      5   0.142697D+02  0.703716D+01  0.691498D+01  0.122333D+01  0.935788D+00
      6  -0.505103D+01  0.617354D+01 -0.150829D+01 -0.184188D+01  0.100463D+01
                26            27            28            29            30 
      1   0.749990D+01 -0.355554D+01 -0.366164D+02  0.296296D+01 -0.195752D+02
      2  -0.802525D+01 -0.210283D+01  0.277395D+02 -0.819043D+01  0.149422D+02
      3   0.525356D+00  0.565837D+01  0.887688D+01  0.522747D+01  0.463297D+01
      4  -0.459661D+00 -0.302993D+01  0.629378D+01  0.380375D+01  0.108694D+02
      5   0.307872D-02  0.195542D+01 -0.383928D+02  0.106226D+02 -0.343872D+02
      6   0.293728D+00  0.997793D+01  0.926351D+01 -0.179217D+01  0.823360D+01
                31            32            33            34            35 
      1  -0.198024D+01  0.107962D+02  0.341350D+01 -0.316834D+02  0.141525D+02
      2   0.731166D+01 -0.224724D+02 -0.259770D+00  0.252573D+02 -0.101399D+02
      3  -0.533142D+01  0.116761D+02 -0.315373D+01  0.642612D+01 -0.401264D+01
      4  -0.765903D+01  0.349753D+02 -0.344714D+01  0.169830D+02  0.557517D+01
      5   0.652014D+01 -0.564331D+01 -0.726455D+01 -0.562830D+02 -0.137776D+01
      6  -0.371377D+01  0.670694D+01  0.156080D+01  0.122768D+02 -0.205763D+00
                36            37            38            39            40 
      1  -0.375343D+02 -0.727368D+02  0.470078D+02  0.120564D+02  0.518317D+02
      2   0.269157D+02  0.323740D+02 -0.212212D+02 -0.287322D+01 -0.255376D+02
      3   0.106186D+02  0.403629D+02 -0.257865D+02 -0.918315D+01 -0.262941D+02
      4  -0.360059D+00  0.523346D+02 -0.116883D+02 -0.458601D+01 -0.170986D+02
      5  -0.207820D+02  0.131000D+02 -0.514100D+01  0.245472D+02 -0.352836D+01
      6   0.335188D+01 -0.729613D+01  0.198522D+01 -0.480727D+01  0.131776D+01
                41            42            43            44            45 
      1  -0.118696D+02  0.543677D+00  0.412048D+01  0.209658D+01  0.340738D+02
      2   0.777069D+01  0.135523D+01  0.137226D+01  0.166366D+01 -0.166014D+02
      3   0.409887D+01 -0.189890D+01 -0.549274D+01 -0.376025D+01 -0.174724D+02
      4  -0.179263D+02  0.656592D+01 -0.152823D+01  0.608144D+01  0.157732D+02
      5   0.687737D+01  0.162479D+02  0.326562D+02  0.167875D+02  0.357085D+01
      6   0.109276D+01 -0.365411D+01 -0.305504D+01 -0.291713D+01 -0.453558D+01
                46            47            48            49            50 
      1   0.202106D+02 -0.309697D+02 -0.803553D+00 -0.464441D+02 -0.920171D+01
      2  -0.930472D+01  0.177038D+02 -0.555689D+01  0.257780D+02  0.953371D+01
      3  -0.109059D+02  0.132659D+02  0.636045D+01  0.206660D+02 -0.331999D+00
      4  -0.323767D+02 -0.112691D+02  0.319344D+01 -0.164065D+02  0.190796D+02
      5   0.574144D+01  0.555422D+01 -0.389898D+02  0.524901D+01 -0.372179D+01
      6   0.614655D+01 -0.160560D+00 -0.999018D+01  0.122672D+01 -0.381228D+01
                51            52            53            54            55 
      1   0.735662D+00  0.106805D+02 -0.523542D+00 -0.518282D+02 -0.376449D+01
      2  -0.424827D+01 -0.142241D+02 -0.417848D+01  0.270008D+02 -0.104655D+02
      3   0.351261D+01  0.354364D+01  0.470203D+01  0.248274D+02  0.142300D+02
      4  -0.382991D+01  0.294441D+01 -0.478096D+01 -0.398455D+02  0.142257D+02
      5  -0.248940D+02 -0.670951D+02 -0.340428D+02  0.117295D+02  0.479689D+01
      6  -0.744901D+01 -0.185631D+02 -0.730348D+01  0.380637D+01 -0.316888D+01
                56            57            58            59            60 
      1   0.831333D+01 -0.214150D+02 -0.350098D+01 -0.214475D+01  0.484318D+01
      2  -0.939893D+01 -0.127807D+02 -0.280256D+01  0.827209D+01  0.294765D+01
      3   0.108560D+01  0.341956D+02  0.630354D+01 -0.612734D+01 -0.779082D+01
      4  -0.254926D+01 -0.551550D+00  0.459516D+01  0.349748D+01 -0.195353D+01
      5   0.142318D+00  0.255753D+02 -0.929075D+00 -0.730924D+00  0.664485D+01
      6   0.234854D+01  0.704104D+01 -0.127434D+00  0.331694D+01 -0.838534D+01
                61            62            63            64            65 
      1   0.339930D+01 -0.142963D+02 -0.494694D+01 -0.167470D+01 -0.600043D+01
      2  -0.219478D+02  0.875048D+01 -0.280795D+02  0.521187D+01 -0.345350D+01
      3   0.185485D+02  0.554578D+01  0.330265D+02 -0.353716D+01  0.945394D+01
      4  -0.117996D+02  0.434366D+01  0.486809D+00 -0.770736D+00  0.101152D+02
      5   0.284008D+02 -0.402019D+00  0.323824D+02  0.568940D+01 -0.253184D+01
      6  -0.428686D+01 -0.395930D+01  0.867493D+00 -0.853225D+00 -0.543920D+00
                66            67            68            69            70 
      1   0.581086D+01 -0.827759D+01  0.663927D+01 -0.257696D+02 -0.178648D+01
      2  -0.762808D+01  0.393171D+00 -0.170768D+02 -0.656548D+01 -0.508025D+01
      3   0.181722D+01  0.788442D+01  0.104376D+02  0.323351D+02  0.686673D+01
      4  -0.303547D+01  0.484249D+01  0.154404D+01  0.131424D+01 -0.456095D+01
      5   0.374267D+01  0.160518D+00  0.605324D+00  0.184822D+02  0.270693D+01
      6   0.130368D+02  0.405551D+01  0.578507D+01  0.154702D+02  0.416296D+01
                71            72            73            74            75 
      1  -0.221861D+02 -0.221181D+02 -0.128630D+00 -0.433912D+01 -0.500143D+01
      2   0.110614D+02 -0.153089D+02  0.105532D+02 -0.549641D+01  0.261318D+01
      3   0.111247D+02  0.374270D+02 -0.104246D+02  0.983553D+01  0.238825D+01
      4   0.868207D+01  0.849488D+01 -0.748928D+01  0.399619D+00  0.163486D+02
      5   0.773433D+01  0.215513D+02  0.486574D+01  0.128610D+02 -0.103918D+01
      6   0.160427D+02  0.206786D+02  0.118453D+02  0.696347D+01  0.385072D+01
                76            77            78            79            80 
      1   0.122581D+02 -0.328561D+02 -0.948427D+01 -0.877779D+00  0.370143D+01
      2  -0.477533D+01  0.482422D+02 -0.727149D+00  0.470170D+00  0.266087D+01
      3  -0.748272D+01 -0.153861D+02  0.102114D+02  0.407609D+00 -0.636230D+01
      4   0.622972D+01  0.236774D+02  0.407482D+01  0.849050D+01  0.835748D+01
      5   0.172956D+01  0.570234D+01  0.447733D+01 -0.233379D+01  0.162119D+01
      6   0.251513D+01  0.224506D+02  0.102743D+02  0.669867D+01  0.915643D+01
                81            82            83            84            85 
      1  -0.913386D+01  0.854495D+01  0.172059D+02 -0.723105D+00  0.128691D+02
      2   0.976341D+01 -0.136714D+02 -0.395301D+02 -0.545392D+01 -0.248787D+02
      3  -0.629546D+00  0.512648D+01  0.223242D+02  0.617703D+01  0.120096D+02
      4  -0.245258D+01 -0.491518D+00 -0.221498D+02 -0.128770D+02 -0.143101D+02
      5   0.616730D+01  0.656222D+00 -0.763236D+01 -0.455203D+01 -0.306044D+01
      6  -0.729968D+00 -0.160375D+02 -0.770593D+01  0.156853D+02 -0.301771D+01
                86            87            88            89            90 
      1   0.254802D+02  0.588661D+01 -0.247500D+01 -0.370586D+01  0.386524D+01
      2  -0.512450D+02 -0.112459D+02 -0.835323D+00  0.334439D+01 -0.409278D+01
      3   0.257648D+02  0.535929D+01  0.331032D+01  0.361467D+00  0.227542D+00
      4  -0.357715D+02 -0.182669D+01 -0.889388D+01 -0.143181D+01  0.102110D+02
      5  -0.232590D+01  0.108669D+00 -0.412074D+01  0.195166D+01  0.295996D+01
      6  -0.213573D+02 -0.416622D+01  0.175376D+02 -0.104744D+02  0.105842D+01
                91            92            93            94            95 
      1   0.804967D+01 -0.180701D+02  0.608710D+00 -0.126732D+02  0.269007D+02
      2  -0.123388D+02  0.392207D+02 -0.695683D+01  0.231806D+02 -0.507770D+02
      3   0.428910D+01 -0.211507D+02  0.634812D+01 -0.105074D+02  0.238762D+02
      4  -0.995249D+00 -0.201677D+02  0.128996D+02 -0.121186D+02  0.337570D+02
      5   0.154958D+01  0.754628D+01 -0.515273D+01  0.268800D+01 -0.276270D+01
      6   0.161531D+02 -0.848790D+01 -0.152012D+02 -0.424551D+01  0.223834D+02
                96            97            98            99           100 
      1  -0.667453D+01 -0.139093D+01  0.327488D+01  0.373626D+01 -0.541782D+01
      2   0.123741D+02 -0.218622D+01 -0.260389D+01 -0.406562D+01  0.121492D+02
      3  -0.569956D+01  0.357714D+01 -0.670984D+00  0.329354D+00 -0.673141D+01
      4  -0.300570D+01  0.756775D+01 -0.236729D+01 -0.101236D+02  0.121485D+02
      5   0.215165D+00 -0.420488D+01 -0.205301D+01  0.352731D+01  0.278757D+01
      6  -0.490357D+01 -0.169835D+02 -0.105977D+02 -0.857108D+00 -0.110224D+02
               101           102           103           104           105 
      1   0.550436D+01 -0.402113D+01 -0.864529D+01 -0.347212D+02  0.942138D+01
      2   0.520513D+01  0.349579D+01  0.332305D+01  0.472922D+02  0.582932D-01
      3  -0.107095D+02  0.525340D+00  0.532224D+01 -0.125710D+02 -0.947967D+01
      4  -0.205657D+01 -0.148882D+02  0.342079D+01 -0.189878D+02  0.360853D+01
      5  -0.111607D+02 -0.292430D+00 -0.440826D+00  0.442070D+01 -0.303487D+01
      6   0.565619D+01 -0.409623D+01  0.477396D+00 -0.226196D+02  0.943514D+01
               106           107           108           109           110 
      1  -0.292123D+01 -0.172896D+01 -0.957635D+01  0.138976D+02 -0.110401D+02
      2   0.118380D+01 -0.322705D+01  0.766300D+01 -0.113322D+02 -0.123173D+02
      3   0.173743D+01  0.495601D+01  0.191335D+01 -0.256548D+01  0.233574D+02
      4  -0.685682D+01  0.763410D+01  0.196545D+01 -0.313301D+02  0.180439D+02
      5  -0.172864D+01 -0.174819D+01  0.544815D+01  0.430628D+01  0.369505D+01
      6  -0.653547D+01  0.948207D+01 -0.941046D+00  0.597020D+01  0.755874D+01
               111           112           113           114           115 
      1  -0.207383D+01 -0.443953D+02  0.110956D+02  0.635866D+01 -0.286498D+02
      2  -0.186143D+00  0.712114D+01 -0.129026D+02 -0.108627D+01  0.418007D+01
      3   0.225998D+01  0.372741D+02  0.180707D+01 -0.527239D+01  0.244697D+02
      4   0.700920D+01  0.228679D+02 -0.165069D+02 -0.864289D+00  0.761830D+01
      5   0.499091D+01 -0.276045D+01 -0.228921D+01  0.309200D+00  0.137298D+02
      6   0.268102D+01 -0.682684D+00  0.199785D+01  0.602849D+01 -0.209700D+01
               116           117           118           119           120 
      1  -0.363659D+01  0.545196D+01  0.626292D+02  0.129776D+02  0.121519D+02
      2   0.102529D+02  0.596729D+00 -0.363001D+02 -0.127192D+02 -0.173587D+02
      3  -0.661628D+01 -0.604869D+01 -0.263292D+02 -0.258469D+00  0.520684D+01
      4  -0.101964D+02 -0.100272D+02  0.236558D+02  0.112172D+02  0.575056D+01
      5  -0.603729D+01 -0.433127D+01  0.352944D+02  0.596109D+01  0.178105D+02
      6   0.448884D+01  0.172174D+01  0.535864D+01  0.643924D+01  0.573846D+01
               121           122           123           124           125 
      1   0.386019D+02  0.605497D+01 -0.107486D+02  0.263348D+02 -0.917670D+01
      2  -0.746540D+01  0.702644D+01  0.624593D+01 -0.624599D+01  0.806262D+01
      3  -0.311365D+02 -0.130814D+02  0.450264D+01 -0.200888D+02  0.111408D+01
      4   0.345505D+01  0.118558D+02  0.469894D+01 -0.155879D+02  0.247949D+01
      5  -0.876494D+01  0.574843D+01 -0.894601D+00  0.448589D+01  0.168500D+01
      6   0.720862D+01  0.597895D-01 -0.779329D+00 -0.242516D+01 -0.294756D+00
               126           127           128           129           130 
      1  -0.289320D+01 -0.353459D+01 -0.104448D+02 -0.252782D+02  0.208472D+01
      2  -0.328971D+01 -0.643605D+01  0.107319D+02 -0.125277D+02  0.437629D+01
      3   0.618292D+01  0.997064D+01 -0.287061D+00  0.378059D+02 -0.646102D+01
      4   0.521160D+01 -0.198052D+02 -0.133223D+01 -0.309569D+00  0.391288D+01
      5   0.528026D+01  0.221977D+01 -0.869328D+00  0.212607D+02  0.130786D+01
      6  -0.599808D+01  0.203695D+01  0.139362D+01 -0.760931D+01  0.122835D+00
               131           132           133           134           135 
      1  -0.243447D+01 -0.330434D+01  0.691591D+01  0.150718D+02 -0.762485D+01
      2   0.826498D+01 -0.257549D+01 -0.257369D+02 -0.916995D+01 -0.300468D+02
      3  -0.583051D+01  0.587983D+01  0.188210D+02 -0.590185D+01  0.376717D+02
      4  -0.226423D+01 -0.141211D+01  0.105211D+02  0.307309D+01 -0.125139D+01
      5  -0.426886D+00 -0.790467D+01  0.279702D+02 -0.230200D+00  0.356740D+02
      6  -0.395286D+01 -0.853208D+01  0.379963D+01 -0.343223D+01 -0.215763D+01
               136           137           138           139           140 
      1  -0.388062D+01  0.563977D+01  0.807054D+01  0.637685D+01  0.837608D+01
      2   0.584566D+01  0.126316D+01 -0.740067D+01 -0.156151D+01 -0.170936D+02
      3  -0.196504D+01 -0.690293D+01 -0.669868D+00 -0.481534D+01  0.871756D+01
      4   0.131319D+01  0.100907D+02  0.333883D+01  0.748696D+01 -0.306740D+01
      5   0.616283D+01  0.249193D+01  0.246859D+01  0.305743D-01  0.983003D+00
      6   0.102158D+01 -0.118561D+01 -0.107215D+02  0.460288D+01 -0.464693D+01
               141           142           143           144           145 
      1   0.268422D+02 -0.186397D+01  0.220592D+02 -0.223949D+02 -0.191208D+02
      2   0.791437D+01 -0.480162D+01 -0.108770D+02 -0.141369D+02  0.174553D+01
      3  -0.347566D+02  0.666559D+01 -0.111821D+02  0.365319D+02  0.173752D+02
      4   0.933368D+00  0.528937D+01  0.688361D+01 -0.612404D+01  0.190065D+02
      5  -0.155467D+02  0.907989D+00 -0.636046D+01  0.190969D+02  0.157895D+01
      6   0.162608D+02 -0.310720D+01  0.159722D+02 -0.195185D+02  0.107425D+00
               146           147           148           149           150 
      1   0.202421D+01  0.105544D+02  0.565061D+01 -0.178592D+02  0.871517D+01
      2   0.171846D+02 -0.627229D+01  0.201615D+02 -0.117187D+02 -0.432726D+01
      3  -0.192088D+02 -0.428213D+01 -0.258121D+02  0.295779D+02 -0.438791D+01
      4  -0.287440D+02  0.736171D+01 -0.497059D+02  0.440612D+02 -0.186527D+01
      5   0.112857D+02  0.411726D+01  0.126389D+02 -0.245741D+01  0.302344D+01
      6  -0.616126D+01 -0.809609D+01 -0.781731D+00  0.111355D+01 -0.601079D+01
               151           152           153           154           155 
      1   0.124873D+02  0.189297D+02  0.146531D+02 -0.214604D+01  0.205747D+02
      2  -0.121905D+02 -0.195458D+01 -0.740363D+01  0.227499D+01 -0.192934D+02
      3  -0.296785D+00 -0.169751D+02 -0.724947D+01 -0.128948D+00 -0.128139D+01
      4   0.180773D+02 -0.120312D+02  0.596562D+01  0.270460D+02 -0.167676D+01
      5   0.289516D+01  0.794688D+01  0.389222D+01  0.264400D+02 -0.320340D+02
      6  -0.435490D+01 -0.778596D+01 -0.835745D+01 -0.984356D+01  0.265195D+01
               156           157           158           159           160 
      1   0.173325D+02  0.278873D+02  0.607957D+01 -0.401736D+02  0.132843D+02
      2  -0.851715D+01 -0.232171D+02  0.148071D+01  0.181245D+02 -0.546448D+01
      3  -0.881533D+01 -0.467019D+01 -0.756028D+01  0.220491D+02 -0.781980D+01
      4  -0.317721D+02 -0.299370D+01 -0.301097D+01  0.165134D+02 -0.383702D+02
      5  -0.200443D+02 -0.446568D+02  0.132957D+02 -0.123025D+01 -0.205199D+02
      6   0.919090D+01  0.578447D+01 -0.783375D+00 -0.515881D+01  0.101292D+02
               161           162           163           164           165 
      1  -0.344944D+02 -0.136522D+02 -0.490412D+02 -0.308987D+02 -0.438591D+01
      2   0.136113D+02  0.100508D+02  0.206648D+02  0.146341D+02  0.441220D+01
      3   0.208831D+02  0.360143D+01  0.283764D+02  0.162645D+02 -0.262922D-01
      4   0.149196D+02 -0.270447D+01 -0.345407D+02 -0.196043D+02  0.304130D+02
      5  -0.323645D+01  0.152776D+02 -0.360221D+01  0.298631D+02  0.150864D+01
      6  -0.396597D+01 -0.614722D+00  0.717121D+01  0.632436D+00  0.275089D+01
               166           167           168           169           170 
      1  -0.483039D+02 -0.280040D+02  0.427902D+02 -0.233122D+01  0.427270D+02
      2   0.220773D+02  0.138514D+02 -0.213292D+02  0.217962D+01 -0.228540D+02
      3   0.262266D+02  0.141526D+02 -0.214610D+02  0.151597D+00 -0.198730D+02
      4  -0.341395D+02  0.405101D+01 -0.964384D+01  0.465969D+02 -0.737193D+01
      5   0.453433D+02 -0.975986D+01  0.214094D+02 -0.851696D+01  0.195802D+02
      6  -0.264342D+01  0.415492D+01 -0.320247D+01  0.389122D+01 -0.322768D+01
               171           172           173           174           175 
      1  -0.409363D+01 -0.173978D+02  0.613623D+01  0.441581D+01  0.300315D+01
      2   0.183974D+01  0.121857D+02  0.127227D+00 -0.246218D+01 -0.462883D+01
      3   0.225389D+01  0.521207D+01 -0.626346D+01 -0.195363D+01  0.162568D+01
      4   0.187496D+02  0.835159D+00 -0.529742D+01 -0.193410D+02 -0.191032D+02
      5  -0.604693D+01 -0.735273D+01 -0.194877D+02 -0.210213D+02 -0.247014D+02
      6   0.429390D+01 -0.485657D+01 -0.648691D+01 -0.700760D+01 -0.792411D+01
               176           177           178           179           180 
      1  -0.323388D+01 -0.200899D+02  0.104264D+02 -0.170781D+02 -0.101201D+02
      2  -0.464214D+01  0.168510D+02  0.271778D+01  0.191071D+02  0.851069D+01
      3   0.787602D+01  0.323896D+01 -0.131441D+02 -0.202898D+01  0.160937D+01
      4  -0.228054D+02 -0.163092D+00 -0.214756D+02  0.230454D+01 -0.268600D+02
      5  -0.209363D+00 -0.176132D+02 -0.309675D+02 -0.280309D+02 -0.305079D+02
      6  -0.179762D+01 -0.678137D+01 -0.147809D+02 -0.946152D+01 -0.136713D+02
               181           182           183           184           185 
      1  -0.625805D+02  0.118689D+01 -0.105524D+02  0.108556D+01  0.119072D+02
      2   0.446001D+02 -0.965405D+00  0.268685D+02 -0.438208D+00 -0.169033D+02
      3   0.179804D+02 -0.221484D+00 -0.163161D+02 -0.647357D+00  0.499618D+01
      4   0.116724D+01 -0.156319D+02 -0.303035D-01 -0.106171D+02 -0.201857D+01
      5  -0.358547D+02  0.514081D+00 -0.365832D+02 -0.868567D+00 -0.898400D+01
      6  -0.417462D+00 -0.558258D+01 -0.308959D+00 -0.128981D+02  0.110788D+00
               186           187           188           189           190 
      1  -0.154126D+00 -0.158930D+02  0.612955D+00  0.170099D+02  0.305110D+02
      2  -0.398500D+00  0.301753D+02 -0.266700D+00  0.237381D+02 -0.133893D+02
      3   0.552626D+00 -0.142823D+02 -0.346255D+00 -0.407480D+02 -0.171217D+02
      4  -0.670106D+01  0.855991D+00 -0.147062D+02 -0.356902D+00 -0.223480D+02
      5  -0.585139D+00 -0.237549D+02  0.911004D+00 -0.349344D+02 -0.124992D+02
      6  -0.171891D+02 -0.211786D+00 -0.831855D+01 -0.351283D+00  0.990991D+01
               191           192           193           194           195 
      1  -0.139925D+01 -0.161246D+01 -0.255158D+01 -0.464495D+02 -0.163640D+02
      2  -0.468415D+01  0.355519D+01 -0.801180D+01  0.746244D+02  0.135405D+02
      3   0.608341D+01 -0.194273D+01  0.105634D+02 -0.281749D+02  0.282348D+01
      4   0.251935D+02  0.101176D+02  0.243626D+02 -0.261581D+02 -0.949015D+01
      5   0.978046D+01  0.194471D+02  0.319147D+01 -0.108070D+02 -0.625218D+01
      6  -0.349159D+01 -0.688992D+01 -0.708635D+01  0.308174D+02  0.301598D+02
               196           197           198           199           200 
      1  -0.174580D+01 -0.181054D+02 -0.248765D+02  0.328967D+02 -0.278188D+00
      2   0.623583D+01  0.774902D+01 -0.363222D+01 -0.166594D+02  0.629970D+01
      3  -0.449003D+01  0.103564D+02  0.285087D+02 -0.162374D+02 -0.602151D+01
      4   0.713593D+01 -0.562883D+01 -0.120483D+02  0.199833D+02  0.232289D+02
      5   0.199039D+02 -0.116113D+02 -0.181539D+02 -0.159744D+02 -0.841155D+01
      6  -0.109140D+02  0.324273D+02  0.346747D+02 -0.889406D+01 -0.444455D+01
               201           202           203           204           205 
      1  -0.167574D+01 -0.427456D+00 -0.391369D+02  0.169988D+02  0.228949D+01
      2   0.514011D+01  0.904014D+01  0.611681D+02 -0.135544D+02  0.580758D+01
      3  -0.346437D+01 -0.861268D+01 -0.220312D+02 -0.344446D+01 -0.809707D+01
      4  -0.964871D+01  0.241618D+02  0.264830D+02 -0.110543D+02 -0.686361D+01
      5   0.226661D+02 -0.284889D+01 -0.126809D+02  0.756577D+01  0.221944D+02
      6   0.737017D+01 -0.870767D+01 -0.314759D+02  0.299168D+02  0.125104D+02
               206           207           208           209           210 
      1   0.180471D+02 -0.252241D+02 -0.707513D+01  0.625309D+01  0.185649D+02
      2  -0.734048D+01 -0.969641D+01 -0.763911D+01  0.106945D+01  0.101337D+02
      3  -0.107066D+02  0.349205D+02  0.147142D+02 -0.732254D+01 -0.286986D+02
      4  -0.619529D+01  0.128666D+02 -0.379208D+01  0.157783D+01  0.299478D+01
      5   0.125108D+02 -0.223497D+02 -0.108829D+02  0.299445D+01  0.107337D+02
      6   0.295180D+02 -0.345820D+02  0.825042D+01 -0.723280D+01 -0.136644D+02
               211           212           213           214           215 
      1   0.269408D+01 -0.319140D+01 -0.871527D+00  0.947695D+01 -0.227229D+01
      2  -0.831354D+00  0.337432D+00  0.254614D+01  0.482692D+01 -0.569623D+00
      3  -0.186273D+01  0.285397D+01 -0.167461D+01 -0.143039D+02  0.284191D+01
      4   0.135856D+01 -0.205650D+01 -0.125160D+01  0.155259D+01 -0.196266D+01
      5   0.261329D+01 -0.246501D+01 -0.357090D+01  0.828305D+01 -0.245262D+01
      6  -0.400969D+01  0.426456D+01  0.473489D+01 -0.518033D+01  0.474379D+01
               216           217           218           219           220 
      1  -0.163573D+02 -0.841342D-01 -0.156940D+01  0.450084D+01  0.129408D+01
      2  -0.109506D+02  0.297898D+00 -0.872039D+00  0.346607D+01  0.308298D+01
      3   0.273079D+02 -0.213764D+00  0.244144D+01 -0.796691D+01 -0.437706D+01
      4  -0.251055D+01 -0.205004D+01  0.187854D+01 -0.160125D+01  0.513242D+01
      5  -0.113954D+02  0.690576D+00 -0.257513D+01  0.940761D+00 -0.804426D+01
      6   0.750928D+01 -0.279876D+01  0.107386D+01  0.504569D+00  0.581037D+01
               221           222           223           224           225 
      1  -0.153864D+02  0.186908D+02  0.471842D+00  0.120225D+02 -0.202548D+02
      2   0.596155D+00  0.588695D+01 -0.360236D+00  0.220895D+01 -0.612264D+01
      3   0.147903D+02 -0.245777D+02 -0.111606D+00 -0.142314D+02  0.263774D+02
      4  -0.102289D+02  0.104195D+02 -0.259107D+01  0.442016D+01 -0.592152D+01
      5   0.119209D+02 -0.165744D+02  0.304015D+01 -0.722395D+01  0.101580D+02
      6  -0.220860D+02  0.246853D+02 -0.214333D+01  0.156721D+02 -0.205073D+02
               226           227           228           229           230 
      1  -0.257232D+01  0.158467D+00 -0.681971D+01 -0.102656D+02 -0.532466D+01
      2  -0.121928D+01 -0.408413D+00  0.138849D+01  0.727828D+01  0.539657D+01
      3   0.379160D+01  0.249946D+00  0.543122D+01  0.298732D+01 -0.719003D-01
      4  -0.464321D+01 -0.123515D+01 -0.204556D+00 -0.782921D+00  0.436752D+01
      5  -0.852073D+00  0.190558D+01 -0.108101D+01  0.134684D+01 -0.298527D+01
      6  -0.656363D-01  0.116442D+01 -0.309319D+01 -0.201119D+00 -0.264588D+01
               231           232           233           234           235 
      1   0.107177D+01 -0.189889D+02  0.845302D+00 -0.142816D+02 -0.133915D+01
      2  -0.471376D+01  0.929983D+01 -0.678410D+00 -0.999100D+01  0.756206D+01
      3   0.364200D+01  0.968910D+01 -0.166892D+00  0.242726D+02 -0.622290D+01
      4  -0.389967D+01 -0.976469D+01 -0.630672D+01  0.301940D+01  0.703490D+01
      5  -0.319412D+01  0.100510D+02  0.517696D+01 -0.269978D+02  0.497742D+00
      6   0.175449D+01  0.150102D+01  0.640688D+01 -0.147494D+02 -0.147664D+00
               236           237           238           239           240 
      1   0.573231D+01  0.567659D+00  0.105381D+02 -0.247890D+02  0.101914D+01
      2  -0.624216D+00 -0.674212D+00  0.351864D+01  0.520551D+02 -0.448055D+01
      3  -0.510809D+01  0.106554D+00 -0.140567D+02 -0.272662D+02  0.346142D+01
      4   0.125407D+02 -0.506282D+00  0.231235D+02  0.564820D+02 -0.838328D+01
      5  -0.114393D+01 -0.168234D+00 -0.627977D+01 -0.474259D+01  0.505036D+01
      6  -0.100396D+01 -0.138846D+00 -0.410208D+01 -0.122948D+02  0.711983D+01
               241           242           243           244           245 
      1   0.785921D+00  0.383431D+00 -0.525962D+01  0.539525D+02  0.179368D+02
      2  -0.186375D+00  0.169681D+01  0.355185D+01 -0.316731D+02 -0.904630D+01
      3  -0.599545D+00 -0.208024D+01  0.170777D+01 -0.222793D+02 -0.889052D+01
      4   0.187524D+00  0.102450D+01  0.516510D+01  0.298041D+02  0.174521D+02
      5   0.154114D+01  0.555871D+01 -0.204762D+01 -0.413808D+02 -0.124408D+02
      6   0.110311D+01  0.708661D+01 -0.208355D+01 -0.957903D+01 -0.478208D+01
               246           247           248           249           250 
      1  -0.273771D+02  0.183422D+02  0.105552D+02 -0.600984D+01 -0.446811D+02
      2   0.185708D+02 -0.788513D+01 -0.458728D+01  0.285100D+01  0.317509D+02
      3   0.880624D+01 -0.104571D+02 -0.596796D+01  0.315884D+01  0.129302D+02
      4  -0.145986D+02  0.236599D+02  0.148018D+02 -0.153803D+02 -0.261098D+02
      5   0.320865D+02 -0.143244D+02 -0.148194D+02  0.147980D+02  0.557975D+02
      6   0.740706D+01 -0.740496D+01 -0.657241D+01  0.885605D+01  0.140177D+02
               251           252           253           254           255 
      1  -0.105515D+02  0.299257D+02  0.433123D+02  0.173143D+02  0.172093D+02
      2   0.687146D+01 -0.270372D+02 -0.196801D+02 -0.661689D+01 -0.769666D+01
      3   0.368004D+01 -0.288854D+01 -0.236322D+02 -0.106974D+02 -0.951266D+01
      4  -0.202470D+02  0.262449D+02  0.264391D+02  0.170936D+02  0.929893D+01
      5   0.230401D+02 -0.521841D+02  0.195428D+02  0.663018D+01  0.183964D+02
      6   0.100623D+02 -0.143656D+02  0.467723D+01  0.204355D+01  0.454594D+01
               256           257           258           259           260 
      1   0.223479D+02  0.117952D+02  0.451640D+01  0.405090D+02  0.120520D+02
      2  -0.748318D+01 -0.112980D+01  0.817809D+00 -0.178838D+02 -0.236571D+01
      3  -0.148647D+02 -0.106654D+02 -0.533421D+01 -0.226252D+02 -0.968630D+01
      4   0.237539D+02  0.179351D+02  0.124890D+02  0.237771D+02  0.224512D+02
      5   0.739034D+01  0.111862D+02  0.113997D+02  0.323988D+02  0.179598D+02
      6   0.366159D+01  0.492070D+01  0.585577D+01  0.947085D+01  0.620615D+01
               261           262           263           264           265 
      1   0.236362D+02 -0.171010D+02 -0.118488D+02 -0.963763D+01 -0.158367D+02
      2  -0.117639D+02  0.943834D+01  0.521622D+01  0.276000D+01  0.862663D+01
      3  -0.118723D+02  0.766262D+01  0.663261D+01  0.687762D+01  0.721006D+01
      4   0.212985D+02 -0.732634D+01 -0.265318D+01 -0.396263D+00  0.391378D+01
      5   0.306370D+02 -0.457618D+01 -0.601293D+00 -0.965688D+01  0.261944D+01
      6   0.884724D+01  0.418034D+01  0.127940D+01  0.323482D+01  0.155885D+01
               266           267           268           269           270 
      1  -0.427872D+01 -0.218238D+01 -0.151331D+02 -0.684213D+01 -0.151204D+02
      2   0.256149D+01  0.952884D+00  0.657707D+01  0.173679D+01 -0.169307D+01
      3   0.171723D+01  0.122949D+01  0.855606D+01  0.510534D+01  0.168134D+02
      4  -0.543869D+01 -0.683318D+01  0.991196D+00 -0.127590D+02 -0.108716D+02
      5  -0.667989D+01 -0.963958D+01  0.778055D+00 -0.121643D+02 -0.280794D+02
      6   0.433928D+01  0.668205D+01  0.934376D+00  0.758699D+01  0.103601D+02
               271           272           273           274           275 
      1   0.137594D+03 -0.406776D+02 -0.151506D+02 -0.395013D+02  0.252418D+02
      2  -0.665055D+02  0.172700D+02  0.844546D+01  0.148951D+02 -0.809567D+01
      3  -0.710886D+02  0.234077D+02  0.670519D+01  0.246063D+02 -0.171461D+02
      4  -0.557409D+02  0.316240D+02  0.582160D+01  0.371387D+02 -0.223513D+02
      5  -0.223275D+02  0.620043D+01  0.126033D+02  0.746192D+01 -0.456790D+01
      6   0.712969D+01 -0.394555D+01 -0.285028D+01 -0.430656D+01  0.269725D+01
               276           277           278           279           280 
      1   0.418171D+01 -0.470847D+01  0.102044D+01  0.104528D+02  0.629272D+02
      2  -0.214625D+01  0.330652D+01 -0.137829D+01 -0.618749D+01 -0.407060D+02
      3  -0.203546D+01  0.140195D+01  0.357855D+00 -0.426528D+01 -0.222212D+02
      4  -0.420650D+01  0.263464D+01 -0.148936D+01 -0.805872D+01 -0.171138D+02
      5  -0.665540D+01  0.158679D+02 -0.819355D+01 -0.414600D+01  0.488206D+02
      6   0.298995D+01 -0.345323D+01  0.288429D+01  0.179526D+01 -0.895339D+01
               281           282           283           284           285 
      1  -0.724080D+01  0.264258D+02  0.635559D+01  0.420308D+01  0.233737D-01
      2   0.411619D+01 -0.197641D+02 -0.645660D+01 -0.657378D+00 -0.260856D+01
      3   0.312462D+01 -0.666171D+01  0.101014D+00 -0.354570D+01  0.258519D+01
      4   0.997580D+01 -0.101592D+02  0.114910D+02 -0.713990D+01  0.720550D+01
      5  -0.940825D+01  0.375459D+02  0.173191D+00  0.832596D+01  0.270627D+01
      6   0.418472D+01 -0.783291D+01  0.390603D+01 -0.203807D+01  0.394335D+01
               286           287           288           289           290 
      1   0.433404D+02 -0.988440D+01  0.233707D+02 -0.117330D+01 -0.815916D+01
      2  -0.332563D+02  0.633676D+01 -0.266068D+02  0.267505D+01  0.568743D+01
      3  -0.100841D+02  0.354764D+01  0.323612D+01 -0.150174D+01  0.247173D+01
      4  -0.203670D+02  0.104408D+02 -0.120853D+02 -0.550594D+01  0.892190D+00
      5   0.545504D+02 -0.120248D+02  0.512137D+02  0.254292D+01  0.150570D+00
      6  -0.127156D+02  0.709582D+01 -0.112928D+02 -0.378930D+00 -0.317776D+01
               291           292           293           294           295 
      1   0.374696D+01 -0.138189D+02 -0.147419D+02  0.245499D+01  0.166140D+01
      2  -0.202438D+01 -0.200406D-01  0.344322D+02 -0.314544D+01 -0.215008D+01
      3  -0.172258D+01  0.138389D+02 -0.196904D+02  0.690445D+00  0.488673D+00
      4   0.397705D+00  0.199803D+02 -0.526309D+02  0.688408D+01 -0.231760D+01
      5   0.379889D+01 -0.407764D+01  0.928563D+01 -0.743335D+01  0.102039D+02
      6  -0.891225D+00  0.320027D+01 -0.120849D+02  0.639844D+01 -0.275298D+01
               296           297           298           299           300 
      1   0.350011D+00  0.418920D+01 -0.491358D+01 -0.213848D+02 -0.419699D+01
      2   0.115644D+01 -0.116310D+01  0.172836D+02  0.451236D+02  0.649233D+01
      3  -0.150645D+01 -0.302610D+01 -0.123700D+02 -0.237388D+02 -0.229533D+01
      4  -0.135344D+01 -0.525488D+01  0.215725D+02  0.323163D+02  0.744938D+01
      5  -0.510426D+01  0.348987D+01  0.467510D+01  0.510843D+01  0.465576D+01
      6   0.429896D+01 -0.348208D+01  0.924869D+01  0.149037D+02  0.617056D+01
               301           302           303           304           305 
      1  -0.109814D+02 -0.440489D+02 -0.793163D+01 -0.112314D+01 -0.409124D+01
      2   0.235519D+02  0.832958D+02  0.128608D+02  0.174879D+01  0.373229D+01
      3  -0.125705D+02 -0.392469D+02 -0.492918D+01 -0.625644D+00  0.358953D+00
      4   0.200272D+02  0.370514D+02  0.618613D+01  0.378210D+01  0.419674D+01
      5   0.320005D+01  0.532877D+01  0.225107D+01  0.404945D+01  0.343734D+01
      6   0.755021D+01  0.246461D+02  0.120387D+02  0.359745D+01  0.155259D+02
               306           307           308           309           310 
      1  -0.677032D+01  0.279507D+01  0.897129D+01  0.538136D+01  0.418942D+01
      2   0.903919D+01  0.192939D+00 -0.974165D+01 -0.377710D+01 -0.442560D+01
      3  -0.226887D+01 -0.298801D+01  0.770359D+00 -0.160426D+01  0.236176D+00
      4   0.495363D+01 -0.171496D+02  0.105803D+02  0.916835D+01  0.572230D+01
      5   0.259510D+01 -0.871821D+01  0.454040D+01  0.578570D+01  0.125497D+01
      6   0.609098D+01  0.131214D+02 -0.111622D+02 -0.158123D+02 -0.478466D+01
               311           312           313           314           315 
      1  -0.735477D+01 -0.552899D+01  0.436635D+01 -0.110310D+02 -0.102846D+02
      2   0.113462D+02  0.779895D+01 -0.174822D+01  0.113962D+02  0.315363D+01
      3  -0.399145D+01 -0.226996D+01 -0.261814D+01 -0.365177D+00  0.713096D+01
      4  -0.473121D+01 -0.297524D+01  0.940794D+01 -0.484731D+01 -0.842318D+01
      5  -0.240975D+01 -0.200664D+01  0.609196D+01 -0.336110D+01 -0.583769D+01
      6   0.113143D+02  0.901153D+01 -0.121932D+02  0.158339D+02  0.206486D+02
               316           317           318           319           320 
      1   0.292047D+01 -0.906818D+01  0.433390D+01 -0.431863D+01 -0.605831D+01
      2  -0.101376D+01  0.975810D+01 -0.232261D+01  0.467068D+01  0.950197D+01
      3  -0.190671D+01 -0.689922D+00 -0.201128D+01 -0.352053D+00 -0.344366D+01
      4   0.178480D+02  0.101699D+02 -0.102724D+02  0.459819D+01  0.469450D+01
      5  -0.100626D+02 -0.466305D+01  0.666918D+01 -0.645571D+00 -0.256662D+01
      6  -0.142730D+02 -0.110716D+02  0.162503D+02 -0.401668D+01 -0.104811D+02
               321           322           323           324           325 
      1   0.557121D+01  0.524792D+01  0.100489D+02 -0.102435D+02 -0.509162D+01
      2  -0.778960D+01 -0.235301D+01 -0.100894D+02  0.262555D+01  0.161666D+02
      3   0.221839D+01 -0.289491D+01  0.404967D-01  0.761798D+01 -0.110750D+02
      4  -0.257366D+01 -0.860043D+01 -0.530946D+01  0.859516D+01 -0.200983D+02
      5   0.188097D+01  0.599777D+01  0.379898D+01 -0.663802D+01  0.477029D+01
      6   0.840887D+01  0.119217D+02  0.154247D+02 -0.206434D+02 -0.932210D+01
               326           327           328           329           330 
      1   0.224346D+02 -0.473988D+01  0.108434D+02 -0.452090D+02  0.862086D+01
      2  -0.448850D+02  0.709506D+01 -0.221828D+02  0.832727D+02 -0.137576D+02
      3   0.224504D+02 -0.235517D+01  0.113394D+02 -0.380637D+02  0.513675D+01
      4   0.307799D+02 -0.768167D+01  0.187384D+02 -0.346687D+02  0.639679D+01
      5  -0.539754D+01  0.472957D+01 -0.337111D+01  0.537249D+01 -0.224388D+01
      6   0.157589D+02 -0.658700D+01  0.777256D+01 -0.262404D+02  0.126614D+02
               331           332           333           334           335 
      1  -0.143852D+01  0.499657D+01 -0.717259D+01 -0.309342D+01 -0.527138D+01
      2   0.218117D+01 -0.493877D+01  0.919867D+01 -0.934114D+01 -0.886131D+00
      3  -0.742654D+00 -0.577939D-01 -0.202608D+01  0.124346D+02  0.615751D+01
      4  -0.383234D+01  0.472987D+01 -0.481797D+01  0.629160D+01  0.214267D+01
      5   0.398060D+01 -0.333410D+01  0.261116D+01 -0.146216D+02 -0.336745D+01
      6  -0.366778D+01  0.159634D+02 -0.686848D+01 -0.815895D+01 -0.667533D+01
               336           337           338           339           340 
      1   0.170206D+02 -0.158082D+01 -0.242202D+01  0.475522D-01  0.960333D+01
      2   0.103549D+02  0.825880D+00  0.174710D-01 -0.285456D+01  0.500834D+01
      3  -0.273755D+02  0.754939D+00  0.240454D+01  0.280701D+01 -0.146117D+02
      4  -0.323236D+01  0.215533D+01  0.205356D+01 -0.136278D+01 -0.131467D+01
      5   0.120902D+02 -0.252973D+01 -0.271495D+01  0.290668D+01  0.841001D+01
      6   0.122866D+02 -0.395202D+01 -0.364969D+01  0.417865D+01  0.466803D+01
               341           342           343           344           345 
      1   0.164475D+01 -0.144980D+02 -0.706833D+00  0.170424D+01  0.472598D+01
      2   0.470759D+00 -0.103097D+02  0.170078D+00  0.105699D+01  0.345530D+01
      3  -0.211551D+01  0.248077D+02  0.536754D+00 -0.276123D+01 -0.818129D+01
      4  -0.181398D+01  0.256318D+01  0.235800D+01  0.180909D+01  0.191483D+01
      5   0.235898D+01 -0.120027D+02  0.101866D+01  0.298930D+01  0.147848D+01
      6   0.420372D+01 -0.607133D+01  0.330793D+01  0.102855D+01 -0.619185D+00
               346           347           348           349           350 
      1  -0.797360D+00 -0.160058D+02 -0.194865D+02  0.597760D+00 -0.123185D+02
      2  -0.308940D+01  0.806719D+00 -0.575698D+01 -0.208426D+00 -0.170190D+01
      3   0.388676D+01  0.151991D+02  0.252435D+02 -0.389334D+00  0.140204D+02
      4   0.440912D+01  0.965715D+01  0.965214D+01  0.285684D+01  0.384907D+01
      5   0.753541D+01  0.109396D+02  0.156858D+02  0.278975D+01  0.682606D+01
      6   0.512504D+01  0.221190D+02  0.247592D+02  0.213680D+01  0.158976D+02
               351           352           353           354           355 
      1  -0.201166D+02  0.262897D+02 -0.117292D+02 -0.536738D+00 -0.160137D+02
      2  -0.520338D+01 -0.344379D+00 -0.850082D+01  0.169334D+01 -0.129880D+02
      3   0.253200D+02 -0.259454D+02  0.202301D+02 -0.115661D+01  0.290016D+02
      4   0.555124D+01 -0.348685D+02  0.342238D+02 -0.331164D+01  0.481918D+02
      5   0.850847D+01  0.533995D+00 -0.435658D+01  0.483939D+01  0.442844D+00
      6   0.203801D+02 -0.206024D+01  0.695405D+00 -0.120070D+01 -0.445433D+00
               356           357           358           359           360 
      1   0.321279D+01  0.221703D+01  0.810295D+01 -0.296304D+01 -0.278237D+01
      2   0.330466D+02 -0.313430D+01  0.183262D+01 -0.856776D+01  0.367122D+01
      3  -0.362594D+02  0.917271D+00 -0.993557D+01  0.115308D+02 -0.888852D+00
      4  -0.630298D+02  0.171168D+01 -0.166724D+02  0.184943D+02 -0.834367D+01
      5   0.445856D+01 -0.710605D+01  0.540207D+01 -0.883497D+01  0.487315D+01
      6  -0.103059D+01  0.622523D+01 -0.328600D+01  0.819739D+01 -0.284779D+01
               361           362           363           364           365 
      1  -0.178548D+02 -0.814497D+01 -0.857481D+01 -0.737046D+01 -0.747231D+01
      2   0.112846D+02  0.443294D+01  0.454238D+01  0.195983D+01  0.966108D+01
      3   0.657021D+01  0.371203D+01  0.403243D+01  0.541064D+01 -0.218877D+01
      4   0.513678D+01  0.242254D+01 -0.125518D+01  0.965980D+01 -0.111885D+02
      5   0.123333D+01 -0.272408D+01 -0.204819D+01  0.439054D+00 -0.470536D+01
      6   0.278424D+01  0.449943D+01  0.560404D+01  0.146138D+01  0.809260D+01
               366           367           368           369           370 
      1  -0.754603D+01 -0.137285D+02 -0.135282D+02 -0.161822D+02  0.681991D+02
      2   0.563168D+01  0.861877D+01  0.698574D+01  0.258418D+01 -0.397561D+02
      3   0.191436D+01  0.510975D+01  0.654245D+01  0.135980D+02 -0.284430D+02
      4  -0.495486D+01  0.116093D+01 -0.615083D+01 -0.839504D+01 -0.347483D+02
      5  -0.469829D+01  0.445570D+01 -0.959462D+01 -0.165144D+02 -0.496737D+02
      6   0.850425D+01  0.828628D+00  0.128996D+02  0.177501D+02  0.114464D+02
               371           372           373           374           375 
      1  -0.196476D+02 -0.295623D+02 -0.271550D+02  0.124794D+02  0.138432D+02
      2   0.107560D+02  0.210152D+02  0.146701D+02 -0.508452D+01 -0.902421D+01
      3   0.889158D+01  0.854713D+01  0.124849D+02 -0.739490D+01 -0.481900D+01
      4   0.199691D+02  0.205932D+02  0.281852D+02 -0.233087D+02 -0.195462D+02
      5   0.195361D+02  0.362928D+02  0.268733D+02 -0.190306D+02 -0.196950D+02
      6  -0.633975D+01 -0.790828D+01 -0.102500D+02  0.875019D+01  0.996443D+01
               376           377           378           379           380 
      1  -0.268409D+02  0.950251D+01  0.205109D+02 -0.141389D+02  0.431822D+01
      2   0.213209D+02 -0.696953D+01 -0.197103D+02  0.547377D+01  0.115361D+01
      3   0.551999D+01 -0.253298D+01 -0.800607D+00  0.866510D+01 -0.547183D+01
      4   0.200881D+02 -0.133862D+02 -0.174837D+02  0.426435D+01 -0.326803D+01
      5   0.411939D+02 -0.159510D+02 -0.386303D+02 -0.531799D+01  0.400719D+01
      6  -0.100712D+02  0.801543D+01  0.996889D+01 -0.218549D+01  0.861739D+00
               381           382           383           384           385 
      1  -0.883494D+01  0.124610D+02 -0.727581D+01  0.109754D+02 -0.125401D+02
      2   0.152375D+01 -0.559220D+01  0.885748D+00 -0.200563D+00  0.608282D+01
      3   0.731118D+01 -0.686880D+01  0.639007D+01 -0.107748D+02  0.645732D+01
      4   0.466947D+01 -0.781302D+00  0.131796D+02 -0.106548D+02  0.413297D+01
      5  -0.687002D+00  0.355665D+01 -0.989626D+01  0.150017D+02  0.699460D+01
      6  -0.113331D+01  0.700112D+00 -0.646815D+01  0.561988D+01 -0.239265D+01
               386           387           388           389           390 
      1   0.883482D+01 -0.787895D+01  0.118154D+03  0.373922D+02 -0.124961D+02
      2  -0.226091D+00 -0.744331D+01 -0.561194D+02 -0.159756D+02  0.625465D+01
      3  -0.860873D+01  0.153223D+02 -0.620349D+02 -0.214166D+02  0.624144D+01
      4  -0.904194D+01  0.751596D+01  0.457639D+02  0.270216D+02 -0.770049D+01
      5   0.725677D+01 -0.232774D+02 -0.142614D+02 -0.697874D+01  0.129032D+02
      6   0.600075D+01 -0.453094D+01 -0.454563D+01 -0.154633D+01  0.164695D+01
               391           392           393           394           395 
      1   0.605011D+02  0.312298D+02 -0.943985D+01 -0.308525D+02 -0.131837D+02
      2  -0.255555D+02 -0.107547D+02  0.420922D+01  0.151496D+02  0.626364D+01
      3  -0.349456D+02 -0.204751D+02  0.523063D+01  0.157029D+02  0.692008D+01
      4   0.430540D+02  0.306530D+02 -0.402609D+01 -0.164225D+02 -0.750639D+01
      5  -0.111315D+02 -0.360083D+01  0.638885D+01  0.216764D+02  0.630736D+01
      6  -0.286521D+01 -0.258957D+01  0.305503D+01  0.394276D+01  0.354980D+01
               396           397           398           399           400 
      1   0.153718D+02  0.476945D+02 -0.118963D+02  0.171517D+02 -0.322695D+02
      2  -0.844783D+01 -0.248558D+02  0.583641D+01 -0.101534D+02  0.156775D+02
      3  -0.692400D+01 -0.228386D+02  0.605989D+01 -0.699831D+01  0.165920D+02
      4   0.649200D+01 -0.160387D+02  0.144359D+02 -0.102327D+02  0.297190D+02
      5  -0.101826D+02  0.222384D+02 -0.105035D+02  0.149212D+02 -0.230916D+02
      6  -0.235672D+01 -0.462120D+01  0.248997D+01 -0.271862D+01  0.588374D+01
               401           402           403           404           405 
      1   0.194490D+02 -0.167480D+02  0.346156D+02 -0.140368D+02  0.171544D+02
      2  -0.780925D+01  0.870494D+01 -0.211165D+02  0.879372D+01 -0.136841D+02
      3  -0.116397D+02  0.804310D+01 -0.134990D+02  0.524310D+01 -0.347022D+01
      4  -0.282917D+02  0.159803D+02 -0.190378D+02  0.152615D+02 -0.161683D+02
      5   0.161795D+02 -0.219957D+02  0.288066D+02 -0.162371D+02  0.318963D+02
      6  -0.636531D+01  0.618579D+01 -0.563430D+01  0.568202D+01 -0.606449D+01
               406           407           408           409           410 
      1  -0.661142D+01  0.677945D+01 -0.343658D+01  0.199003D+02 -0.820199D+01
      2   0.595558D+01 -0.449785D+01  0.220799D+01 -0.573057D+01  0.227529D+02
      3   0.655834D+00 -0.228160D+01  0.122859D+01 -0.141697D+02 -0.145509D+02
      4   0.545494D+01  0.229042D+01 -0.145206D+01  0.170888D+02  0.378999D+02
      5  -0.199796D+01 -0.145270D+01  0.124838D+01  0.211241D+01 -0.135036D+01
      6  -0.405106D+01 -0.729902D+00  0.110923D+01  0.297938D+01 -0.438869D+00
               411           412           413           414           415 
      1   0.425307D+01 -0.212123D+02  0.326887D+01 -0.177294D+01  0.232950D+02
      2  -0.532671D+01  0.784752D+01 -0.893383D+01  0.334497D+01 -0.161560D+02
      3   0.107364D+01  0.133648D+02  0.566496D+01 -0.157203D+01 -0.713896D+01
      4  -0.300181D+01 -0.377791D+01 -0.128899D+02  0.973651D+01  0.164995D+02
      5   0.906071D+01  0.318583D+01  0.102689D+02 -0.322016D+01  0.266797D+02
      6   0.514705D+01  0.184483D+01  0.374505D+01 -0.153952D+01  0.886663D+01
               416           417           418           419           420 
      1   0.625588D+01  0.124557D+02  0.766462D+01  0.287938D+01  0.293815D+01
      2  -0.343170D+01 -0.901263D+01 -0.252093D+01  0.402364D+00 -0.194203D+01
      3  -0.282419D+01 -0.344305D+01 -0.514369D+01 -0.328175D+01 -0.996112D+00
      4   0.132961D+02  0.145323D+02  0.192534D+02  0.213303D+02  0.163179D+02
      5   0.145458D+02  0.240903D+02  0.156871D+02  0.173598D+02  0.168359D+02
      6   0.587543D+01  0.736429D+01  0.919743D+01  0.105932D+02  0.124266D+02
               421           422           423 
      1   0.225765D+02  0.512751D+01  0.494821D+01
      2  -0.183121D+02 -0.629915D+01 -0.157847D+02
      3  -0.426441D+01  0.117165D+01  0.108365D+02
      4   0.250664D+02  0.210716D+02  0.280091D+02
      5   0.400339D+02  0.290791D+02  0.529602D+02
      6   0.160833D+02  0.165789D+02  0.216678D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.284279D+03      0.421258D+02      0.468713D+02
   aniso      0.771537D+02      0.114330D+02      0.127209D+02
   xx         0.334467D+03      0.495630D+02      0.551462D+02
   yx        -0.344964D+00     -0.511183D-01     -0.568768D-01
   yy         0.268312D+03      0.397598D+02      0.442387D+02
   zx        -0.338487D+01     -0.501586D+00     -0.558090D+00
   zy         0.421458D+00      0.624537D-01      0.694891D-01
   zz         0.250057D+03      0.370546D+02      0.412288D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.284279D+03      0.421258D+02      0.468713D+02
   aniso      0.771537D+02      0.114330D+02      0.127209D+02
   xx         0.334468D+03      0.495631D+02      0.551463D+02
   yx        -0.780403D+00     -0.115644D+00     -0.128671D+00
   yy         0.249983D+03      0.370436D+02      0.412166D+02
   zx         0.291948D+01      0.432622D+00      0.481357D+00
   zy        -0.110168D+01     -0.163252D+00     -0.181642D+00
   zz         0.268386D+03      0.397707D+02      0.442509D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-10\Freq\RwB97XD\Gen\C20H24Cl2Zr1\PIERPA\09-Jul-2021\0
 \\#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=R
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 081878\C,-2.02472,0.98363,-0.466414\C,-2.339028,-0.22168,-1.155258\C,-
 1.360182,-0.422752,-2.143889\C,-0.461006,0.671681,-2.101673\C,-2.92396
 4,1.573874,0.582126\C,-3.996477,0.575127,1.033762\C,-4.616608,-0.1654,
 -0.152513\C,-3.574096,-1.023204,-0.880509\Zr,-0.005023,-0.523739,0.027
 195\Cl,1.213296,-2.195185,-1.256229\Cl,-1.343389,-1.98075,1.446553\H,-
 0.277937,0.863268,2.78384\H,1.36946,-1.251612,2.797258\H,2.50459,1.300
 958,-1.669618\H,2.954314,2.616832,-0.606795\H,4.913581,1.242678,-1.459
 626\H,4.833706,1.343637,0.292621\H,3.751294,-0.985239,-1.363847\H,5.29
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 0544,0.697471\H,1.02176,3.697458,0.830692\H,-0.506727,3.07699,1.407133
 \H,0.592017,3.03705,-1.431518\H,-0.933558,3.690636,-0.878353\H,0.39543
 8,0.81158,-2.742403\H,-1.295578,-1.267115,-2.809824\H,-3.406189,2.4634
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 45634,0.562275,-0.849812\H,-3.33002,-1.893359,-0.267538\H,-3.976897,-1
 .400798,-1.822775\\Version=ES64L-G16RevA.03\State=1-A\HF=-1744.7674483
 \RMSD=6.679e-09\RMSF=1.912e-05\ZeroPoint=0.3948309\Thermal=0.4160331\D
 ipole=0.0950659,1.9703432,-0.0755367\DipoleDeriv=0.0801527,0.0344571,0
 .0440046,0.0471148,0.1341648,0.028359,0.0048877,-0.0031018,0.1021928,-
 0.1037767,-0.0189573,-0.0870597,0.0205538,-0.0637152,-0.0717673,-0.189
 6135,-0.0674318,-0.1354368,0.1870825,-0.1208594,-0.0421109,-0.1971464,
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 296,0.0608308,0.0330158,0.0553876,0.0099945,-0.0346678,0.048006,0.1141
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 0322094,-0.0082313,0.0428553,0.1742854,0.0404382,-0.0047438,-0.0137239
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 8,-0.1890474,-0.0828162,-0.1020545,-0.0301123,-0.1813573,-0.0709781,-0
 .0998127,-0.2839498,-0.0930139,-0.024296,-0.1037097,-0.0888877,-0.1531
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 3799,0.004696,-0.0292387,0.0910123,-0.1335761,0.0573914,-0.0984895,0.1
 070838,0.0259618,0.0523347,-0.1533595,0.0513301,-0.135286,-0.014656,-0
 .0045512,-0.0920475,-0.1009548,-0.044945,0.0889822,-0.1194791,0.067943
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 0401\\\@


 UNLESS WE CHANGE DIRECTIONS, WE WILL WIND UP WHERE WE ARE HEADED.
     -- CONFUCIUS
 Job cpu time:      10 days 11 hours 14 minutes 32.3 seconds.
 Elapsed time:       0 days 15 hours 43 minutes 17.2 seconds.
 File lengths (MBytes):  RWF=   2124 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 16:04:53 2021.
